Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6571886

Cc1ccc(NC(=O)C[n+]2ccn(CC(=O)Nc3cc(Cl)c(C)c(Cl)c3O)c2)c(O)c1.[Cl-]

nearest known ligand 0.40

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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 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 4/20 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
SCHEMBL6574937 0.99 HPGD (0.40) HPGDLMNAMAPK1POLBCYP1A2
Hydrochloric Acid SCHEMBL6573781 0.92 MAPK1 (0.40) HPGDLMNAMAPK1POLBCYP1A2
SCHEMBL6572970 0.91 HPGD (0.41) HPGDLMNAMAPK1POLBCYP1A2
Hydrochloric Acid SCHEMBL5526645 0.88 HPGD (0.49) HPGDCYP1A2CYP2C19MEN1KMT2A
SCHEMBL6572672 0.87 HPGD (0.50) HPGDCYP1A2CYP2C19MEN1KMT2A
Hydrochloric Acid SCHEMBL6572037 0.83 HPGD (0.44) HPGDPOLBCYP1A2CYP2C19MEN1
SCHEMBL6575298 0.82 HPGD (0.45) HPGDCYP1A2CYP2C19MEN1KMT2A
Hydrochloric Acid SCHEMBL6572664 0.81 HPGD (0.42) HPGDLMNAMAPK1POLBCYP1A2
SCHEMBL6572100 0.80 HPGD (0.43) HPGDLMNAMAPK1POLBCYP1A2
Hydrochloric Acid SCHEMBL6572968 0.80 POLB (0.35) HPGDLMNAMAPK1POLBCYP1A2

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