Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6573313

COc1cc(NS(C)(=O)=O)c(O)cc1NC(=O)C[N+]1(C)CCN(C)CC1.[Cl-]

nearest known ligand 0.41

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 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 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
SCHEMBL6575877 0.99 MEN1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL7158144 0.87 TRIM24 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL6941378 0.87 KMT2A (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL6942728 0.87 GAA (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL6939671 0.87 KMT2A (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL6943709 0.87 GAA (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL7798697 0.86 TRIM24 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL6573300 0.86 POLB (0.37) ALDH1A1SMN1; SMN2PIK3CDPIK3R1PIK3CA
SCHEMBL6943658 0.85 KMT2A (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL6944278 0.85 GAA (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1

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