Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6572697

COc1cc(NC(=O)Cn2cc[n+](CC(=O)Nc3cc(OC)c(C)cc3O)c2)c(O)cc1C.[Cl-]

nearest known ligand 0.42

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 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.40
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.37
HPGD P15428 3/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.35

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
SCHEMBL6574237 0.99 ALDH1A1 (0.41) POLBALDH1A1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL6573240 0.89 POLB (0.42) POLBALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6574110 0.88 ALDH1A1 (0.41) POLBALDH1A1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7632194 0.87 ALDH1A1 (0.42) POLBALDH1A1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL6572050 0.87 ALDH1A1 (0.42) POLBALDH1A1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7634969 0.87 ALDH1A1 (0.42) POLBALDH1A1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7635823 0.87 ALDH1A1 (0.42) POLBALDH1A1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL6940903 0.87 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL7805136 0.86 ALDH1A1 (0.42) POLBALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7805068 0.86 ALDH1A1 (0.42) POLBALDH1A1CYP1A2CYP2C9CYP2C19

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-1066263-B1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS OREAL (FR) 2004-05-26 EP claimed
US-6455737-B1 CATIONIC DYES AND OXIDATION BASES HAVING INTENSE SHADES OR COLORS AND COLORFASTNESS USED ON HUMAN KERATIN FIBERS SUCH AS HAIR; MULTICOMPARTMENT KITS L'OREAL S.A. (FR) 2002-09-24 US claimed
US-6455737-B1 CATIONIC DYES AND OXIDATION BASES HAVING INTENSE SHADES OR COLORS AND COLORFASTNESS USED ON HUMAN KERATIN FIBERS SUCH AS HAIR; MULTICOMPARTMENT KITS L'OREAL S.A. (FR) 2002-09-24 US disclosed