Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6573356

COc1cc(NS(C)(=O)=O)c(O)cc1NC(=O)Cn1cc[n+](C)c1.[Cl-]

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 5/20 0.35
LMNA P02545 3/20 0.35
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ADRB3 P13945 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL6574230 0.99 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL6944884 0.88 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL6944983 0.88 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL6939556 0.88 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL6943294 0.88 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL7156607 0.87 KMT2A (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL6946510 0.86 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL6946400 0.86 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL6939598 0.86 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL6941720 0.86 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066264-B1 NOVEL CATIONIC 2-SULPHONYLAMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM AND DYEING METHODS OREAL (FR) 2004-11-17 EP claimed
US-6537329-B1 Intense colorations with a wide range of colours, excellent colorfastness L'OREAL S.A. (FR) 2003-03-25 US claimed
US-6537329-B1 Intense colorations with a wide range of colours, excellent colorfastness L'OREAL S.A. (FR) 2003-03-25 US disclosed