Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6572772

O=C(Cn1cc[n+](CC(=O)Nc2cc(Cl)ccc2O)c1)Nc1cc(Cl)ccc1O.[Cl-]

nearest known ligand 0.53

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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 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
HTT P42858 1/20 0.49
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 1/20 0.46
KCNMA1 Q12791 5/20 0.44
STAT3 P40763 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATM Q13315 1/20 0.43
RECQL P46063 1/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL6573830 0.99 POLB (0.55) POLBHTTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6572793 0.85 KMT2A (0.47) POLBALDH1A1MEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL6944291 0.84 POLB (0.55) POLBHTTALDH1A1MEN1KMT2A
SCHEMBL6574287 0.84 KMT2A (0.48) POLBHTTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6572782 0.83 MAPK1 (0.38) POLBHTTALDH1A1MEN1KMT2A
SCHEMBL6941358 0.82 POLB (0.56) POLBHTTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6573019 0.82 ALDH1A1 (0.53) POLBHTTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6572664 0.82 HPGD (0.42) POLBHTTALDH1A1MEN1KMT2A
SCHEMBL6572929 0.82 MAPK1 (0.38) POLBHTTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5526645 0.81 HPGD (0.49) HTTMEN1KMT2AHPGDGAA

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