Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6572968

Nc1c(Cl)cc(NC(=O)Cn2cc[n+](CC(=O)Nc3cc(Cl)c(N)c(Cl)c3O)c2)c(O)c1Cl.[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 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
RECQL P46063 1/20 0.34
CYP2D6 P10635 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 5/20 0.33
CYP2C9 P11712 1/20 0.32

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
SCHEMBL6573660 0.99 KMT2A (0.34) POLBALDH1A1KMT2AL3MBTL1MEN1
Hydrochloric Acid SCHEMBL6573781 0.87 MAPK1 (0.40) POLBALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL6572970 0.86 HPGD (0.41) POLBALDH1A1KMT2AL3MBTL1MEN1
Hydrochloric Acid SCHEMBL6943653 0.86 HPGD (0.36) POLBALDH1A1MAPK1MAPTLMNA
Hydrochloric Acid SCHEMBL6572782 0.85 MAPK1 (0.38) POLBALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL6944219 0.84 HPGD (0.37) POLBALDH1A1KMT2AMAPK1MAPT
Hydrochloric Acid SCHEMBL6572714 0.84 ALDH1A1 (0.37) POLBALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL6572929 0.84 MAPK1 (0.38) POLBALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL6573675 0.83 ALDH1A1 (0.36) POLBALDH1A1KMT2AL3MBTL1MEN1
Hydrochloric Acid SCHEMBL7628902 0.83 ALDH1A1 (0.38) POLBALDH1A1KMT2AL3MBTL1MEN1

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