Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6571040

Cn1cc[n+](CC(=O)Nc2ccc(O)cc2O)c1.[Cl-]

nearest known ligand 0.39

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
POLB P06746 4/20 0.39
CXCR1 P25024 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL2932487 0.99 POLB (0.38) POLBCXCR1ALDH1A1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL6570098 0.79 LMNA (0.37) POLBALDH1A1KMT2AL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL6571086 0.78 HSP90AB1 (0.49) POLBALDH1A1KMT2ALMNAHTT
SCHEMBL2928925 0.78 LMNA (0.35) POLBALDH1A1KMT2AL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL5472880 0.77 ALDH1A1 (0.51) POLBALDH1A1KMT2ALMNACYP2C9
SCHEMBL2928978 0.76 HSP90AB1 (0.50) POLBALDH1A1KMT2ALMNAHTT
Hydrochloric Acid SCHEMBL6569970 0.76 MEN1 (0.46) POLBALDH1A1KMT2AL3MBTL1MAPK1
SCHEMBL2922194 0.75 ALDH1A1 (0.52) POLBALDH1A1KMT2AL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL5526645 0.75 HPGD (0.49) KMT2ACYP1A2CYP2C19HTTRAB9A
SCHEMBL2928995 0.74 MEN1 (0.44) POLBALDH1A1KMT2AL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064267-B1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2004-09-29 EP claimed
US-6461389-B1 HAIR DYE L'OREAL S.A. (FR) 2002-10-08 US claimed
US-6451067-B1 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-09-17 US claimed
US-6461389-B1 HAIR DYE L'OREAL S.A. (FR) 2002-10-08 US disclosed
US-6451067-B1 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-09-17 US disclosed