Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6572916

Nc1ccc(NC(=O)Cn2cc[n+](CC(=O)Nc3ccc(N)cc3O)c2)c(O)c1.[Cl-]

nearest known ligand 0.39

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
RAD52 P43351 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.36
CYP2C9 P11712 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
GFER P55789 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 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
SCHEMBL6573686 0.99 RAD52 (0.39) RAD52KMT2AMEN1RECQLPOLB
Hydrochloric Acid SCHEMBL6572037 0.94 HPGD (0.44) RAD52KMT2AMEN1POLBHPGD
SCHEMBL6575298 0.92 HPGD (0.45) RAD52KMT2AMEN1HPGDALDH1A1
Hydrochloric Acid SCHEMBL5526645 0.86 HPGD (0.49) KMT2AMEN1HPGDHTTCYP1A2
Hydrochloric Acid SCHEMBL6939662 0.85 RAD52 (0.42) RAD52POLBLMNAHPGDCYP2C9
SCHEMBL6572672 0.85 HPGD (0.50) KMT2AMEN1HPGDALDH1A1HTT
Hydrochloric Acid SCHEMBL6572782 0.84 MAPK1 (0.38) KMT2AMEN1RECQLPOLBLMNA
SCHEMBL6944875 0.83 RAD52 (0.43) RAD52POLBLMNAHPGDCYP2C9
Hydrochloric Acid SCHEMBL6573111 0.83 POLB (0.38) KMT2AMEN1RECQLPOLBLMNA
Hydrochloric Acid SCHEMBL6572793 0.83 KMT2A (0.47) KMT2AMEN1RECQLPOLBLMNA

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