Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6573898

CC(=O)Nc1cc(O)c(NC(=O)Cn2cc[n+](CC(=O)Nc3cc(Cl)c(NC(C)=O)cc3O)c2)cc1Cl.[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 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 1/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 3/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PGK1 P00558 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
SCHEMBL6572876 0.99 LMNA (0.39) POLBLMNAMAPK1HPGDCYP2D6
Hydrochloric Acid SCHEMBL7630524 0.89 POLB (0.39) POLBLMNAMAPK1HPGDCYP2D6
Hydrochloric Acid SCHEMBL7635532 0.89 POLB (0.39) POLBLMNAMAPK1HPGDCYP2D6
SCHEMBL7807367 0.88 HPGD (0.37) POLBLMNAMAPK1HPGDCYP2D6
Hydrochloric Acid SCHEMBL6572664 0.87 HPGD (0.42) POLBLMNAMAPK1HPGDCYP2D6
Hydrochloric Acid SCHEMBL6939645 0.87 LMNA (0.39) POLBLMNAMAPK1HPGDCYP2C19
SCHEMBL6572100 0.85 HPGD (0.43) POLBLMNAMAPK1HPGDCYP2D6
SCHEMBL6946185 0.85 LMNA (0.40) POLBLMNAMAPK1HPGDCYP2C19
Hydrochloric Acid SCHEMBL6572782 0.85 MAPK1 (0.38) POLBLMNAMAPK1HPGDCYP2D6
Hydrochloric Acid SCHEMBL7634969 0.85 ALDH1A1 (0.42) POLBLMNAMAPK1CYP1A2CYP2C19

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