Hydrochloric Acid

Hydrochloric Acid

SCHEMBL30367906

Cl.O=c1ccc(-c2ccc(C(F)(F)F)cc2)n[nH]1

nearest known ligand 0.59

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
JAK2 known ✓ O60674 1/20 0.55
NTRK1 known ✓ P04629 1/20 0.55
RET known ✓ P07949 1/20 0.55
PDGFRB known ✓ P09619 1/20 0.55
NTRK3 known ✓ Q16288 1/20 0.55
NTRK2 known ✓ Q16620 1/20 0.55
PDE3B known ✓ Q13370 5/20 0.50
PDE3A known ✓ Q14432 5/20 0.50
KDR known ✓ P35968 1/20 0.48
PDE4A known ✓ P27815 3/20 0.46
PDE4B known ✓ Q07343 3/20 0.46
PDE4C known ✓ Q08493 3/20 0.46
PDE4D known ✓ Q08499 3/20 0.46
LMNA P02545 3/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP1A2 P05177 2/20 0.58
CDK8 P49336 1/20 0.55
AURKB Q96GD4 1/20 0.55
AKR1B1 P15121 2/20 0.53

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
SCHEMBL10966762 0.98 LMNA (0.61) LMNAMEN1KMT2ACYP1A2JAK2
SCHEMBL3452908 0.83 LMNA (0.80) LMNAMEN1KMT2ACYP1A2JAK2
SCHEMBL12649083 0.82 JAK2 (0.47) LMNAMEN1KMT2ACYP1A2JAK2
SCHEMBL11626122 0.81 KMT2A (0.66) LMNAMEN1KMT2ACYP1A2JAK2
SCHEMBL1769732 0.79 JAK2 (0.62) LMNAMEN1KMT2ACYP1A2JAK2
SCHEMBL4122238 0.78 LMNA (0.67) LMNAMEN1KMT2ACYP1A2AKR1B1
SCHEMBL7369628 0.77 LMNA (0.64) LMNAMEN1KMT2ACYP1A2JAK2
SCHEMBL13070907 0.77 NOTUM (0.54) LMNAMEN1KMT2ACYP1A2JAK2
SCHEMBL1346306 0.77 SNCA (0.47) JAK2NTRK1RETPDGFRBCDK8
Hydrochloric Acid SCHEMBL7316011 0.77 LMNA (0.65) LMNAMEN1KMT2ACYP1A2PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115872976-B Quinoline derivative, pharmaceutical composition containing quinoline derivative and application of pharmaceutical composition 中国药科大学 2024-05-14 CN disclosed
CN-115872976-A Quinoline derivative, pharmaceutical composition containing quinoline derivative and application of quinoline derivative 中国药科大学 2023-03-31 CN disclosed