Hydrochloric Acid

Hydrochloric Acid

SCHEMBL203985

Cl.NCC(=O)c1ccc(Br)cc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 known ✓ Q13547 3/20 0.57
HDAC8 known ✓ Q9BY41 2/20 0.57
HDAC3 known ✓ O15379 1/20 0.57
HDAC4 known ✓ P56524 1/20 0.57
HDAC7 known ✓ Q8WUI4 1/20 0.57
HDAC2 known ✓ Q92769 1/20 0.57
HDAC10 known ✓ Q969S8 1/20 0.57
HDAC11 known ✓ Q96DB2 1/20 0.57
HDAC6 known ✓ Q9UBN7 1/20 0.57
HDAC9 known ✓ Q9UKV0 1/20 0.57
HDAC5 known ✓ Q9UQL6 1/20 0.57
CA2 known ✓ P00918 2/20 0.48
GSK3B P49841 3/20 0.61
OGG1 O15527 1/20 0.54
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
HAO1 Q9UJM8 1/20 0.48
CA1 P00915 2/20 0.48
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL205675 0.98 GSK3B (0.64) GSK3BHDAC1HDAC8HDAC3HDAC4
Bromide SCHEMBL17185185 0.95 GSK3B (0.61) GSK3BHDAC1HDAC8HDAC3HDAC4
Hydrochloric Acid SCHEMBL13738814 0.88 GSK3B (0.42) GSK3BHDAC1HDAC8HDAC3HDAC4
Hydrochloric Acid SCHEMBL690938 0.81 SMN1; SMN2 (0.48) GSK3BHAO1HPGDRAB9AALDH1A1
SCHEMBL20799581 0.80 GSK3B (0.59) GSK3BHDAC1HDAC8HDAC3HDAC4
Hydrochloric Acid SCHEMBL6455838 0.79 NPC1 (0.58) CA1CA2NPC1HPGDRAB9A
Hydrochloric Acid SCHEMBL9064086 0.79 GSK3B (0.95) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL241664 0.78 GSK3B (0.70) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL1305020 0.78 GSK3B (0.70) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL883159 0.78 SMN1; SMN2 (0.50) GSK3BHAO1HPGDRAB9AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 228 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877298-B1 Coated xerographic photographic paper XEROX CORP (US) 2001-08-29 EP claimed
US-5908723-A Recording sheets XEROX CORPORATION (US) 1999-06-01 US claimed
US-5846637-A Coated xerographic photographic paper XEROX CORPORATION (US) 1998-12-08 US claimed
EP-0877298-A2 Coated xerographic photographic paper Xerox Corporation (US) 1998-11-11 EP claimed
CN-115819366-B Preparation method of 2-aroyl substituted oxazole compound and compound prepared by same 重庆医科大学 2024-05-24 CN disclosed
CN-117751113-A Aromatic acetylene derivative and preparation method and application thereof 浙江海正药业股份有限公司 2024-03-22 CN disclosed
CN-114702501-B Imidazole peptide deformylase inhibitor with anti-tumor effect 中山大学 2023-10-17 CN disclosed
CN-115819366-A Preparation method of 2-aroyl substituted oxazole compound and compound prepared by same 重庆医科大学 2023-03-21 CN disclosed
CN-114874143-A Regulator containing pyrazole derivatives, preparation method and application thereof 上海翰森生物医药科技有限公司 2022-08-09 CN disclosed
CN-114702501-A Imidazole peptide deformylase inhibitor with anti-tumor effect 中山大学 2022-07-05 CN disclosed
WO-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed
CN-106588890-B Antiviral compounds 吉利德制药有限责任公司 2020-11-27 CN disclosed
EP-0379145-B1 Substituted quinolinecarboxylic acids AMERICAN CYANAMID CO (US) 1997-05-07 EP disclosed
US-5041567-A Human and veterianary medicine; veneral diseases respiratory diseases, bovine mastitis BEECHAM GROUP PLC (GB) 1991-08-20 US disclosed
US-4968702-A ANTIARTHRITIC, INHIBITORS OF PROGRESSIVE JOINT DETERIORATION, IMMUNOSUPPRESSANT AMERICAN CYANAMID COMPANY (US) 1990-11-06 US disclosed
EP-0379145-A2 Substituted quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1990-07-25 EP disclosed
US-4812470-A Antibacterial monic acid derivatives BEECHAM GROUP P.L.C. (GB) 1989-03-14 US disclosed
EP-0087953-B1 ANTIBACTERIAL 1-NORMON-2-YL-HETEROCYCLIC COMPOUNDS BEECHAM GROUP PLC (GB) 1988-04-27 EP disclosed
EP-0087953-A2 Antibacterial 1-normon-2-yl-heterocyclic compounds BEECHAM GROUP PLC (GB) 1983-09-07 EP disclosed
US-4171307-A 5-(4-Bromophenyl)oxazole MORTON-NORWICH PRODUCTS, INC. (US) 1979-10-16 US disclosed