Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9700611

COc1c(OCCCCCOc2ccc(C=NN)cc2)ccc(C(=O)N(C(C)CI)C(C)CI)c1OC.Cl

nearest known ligand 0.39

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
GAA known ✓ P10253 2/20 0.32
HDAC1 known ✓ Q13547 2/20 0.32
HDAC2 known ✓ Q92769 2/20 0.32
HDAC6 known ✓ Q9UBN7 2/20 0.32
HDAC3 known ✓ O15379 1/20 0.32
HDAC4 known ✓ P56524 1/20 0.32
HDAC7 known ✓ Q8WUI4 1/20 0.32
HDAC10 known ✓ Q969S8 1/20 0.32
HDAC11 known ✓ Q96DB2 1/20 0.32
HDAC8 known ✓ Q9BY41 1/20 0.32
HDAC9 known ✓ Q9UKV0 1/20 0.32
HDAC5 known ✓ Q9UQL6 1/20 0.32
EGFR known ✓ P00533 1/20 0.31
LTB4R Q15722 3/20 0.39
LTB4R2 Q9NPC1 1/20 0.38
APP P05067 1/20 0.33
MAPT P10636 3/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32

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
Hydrochloric Acid SCHEMBL8994942 0.91 LTB4R (0.48) LTB4RLTB4R2APPMAPTLMNA
Hydrochloric Acid SCHEMBL9700771 0.87 THRA (0.41) LTB4RLTB4R2APPMAPTHDAC1
Hydrochloric Acid SCHEMBL9701722 0.84 LTB4R (0.58) LTB4RLTB4R2MAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL9701749 0.83 THRA (0.39) LTB4RLTB4R2MAPTL3MBTL1GAA
Hydrochloric Acid SCHEMBL9700974 0.83 LTB4R (0.46) LTB4RLTB4R2MAPTLMNAL3MBTL1
SCHEMBL9699613 0.83 LTB4R (0.59) LTB4RLTB4R2MAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL9701746 0.83 GAA (0.43) LTB4RLTB4R2ALDH1A1L3MBTL1GAA
Hydrochloric Acid SCHEMBL9700654 0.83 THRB (0.40) LTB4RLTB4R2GAA
Hydrochloric Acid SCHEMBL9701752 0.81 LTB4R (0.39) LTB4RLTB4R2MAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL9700781 0.78 LTB4R (0.36) LTB4RLTB4R2MAPTL3MBTL1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0518819-A2 Amidino compounds, their manufacture and use as medicament CIBA-GEIGY AG (CH) 1992-12-16 EP disclosed