Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6572793

O=C(Cn1cc[n+](CC(=O)Nc2ccccc2O)c1)Nc1ccccc1O.[Cl-]

nearest known ligand 0.47

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 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 2/20 0.41
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
RECQL P46063 1/20 0.47
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.42
KDM1A O60341 1/20 0.41
BCHE P06276 1/20 0.41
BACE1 P56817 1/20 0.40
AKR1B1 P15121 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HDAC3 O15379 1/20 0.39
AHR P35869 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 2/20 0.38

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
SCHEMBL6574287 0.99 KMT2A (0.48) KMT2AMEN1RECQLMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL6572772 0.85 POLB (0.53) KMT2AMEN1RECQLMAPK1ALDH1A1
SCHEMBL6573830 0.84 POLB (0.55) KMT2AMEN1RECQLMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL6940683 0.83 HPGD (0.48) KMT2AMEN1MAPK1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL7632996 0.83 KMT2A (0.41) KMT2AMEN1RECQLMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL6572916 0.83 RAD52 (0.39) KMT2AMEN1RECQLMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL5526645 0.83 HPGD (0.49) KMT2AMEN1HPGDRAB9ANPC1
Hydrochloric Acid SCHEMBL7636177 0.83 KMT2A (0.39) KMT2AMEN1RECQLMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL6573019 0.82 ALDH1A1 (0.53) KMT2AMEN1MAPK1ALDH1A1L3MBTL1
SCHEMBL6943172 0.82 MAPT (0.49) KMT2AMEN1MAPK1ALDH1A1MAPT

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