Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6573008

COC(=O)Nc1ccc(N(O)C(=O)Cn2cc[n+](CC(=O)N(O)c3ccc(NC(=O)OC)cc3)c2)cc1.[Cl-]

nearest known ligand 0.43

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
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HSP90AA1 P07900 1/20 0.36
LMNA P02545 1/20 0.35
GFER P55789 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32
UBE2N P61088 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 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
SCHEMBL6572655 0.99 MAPT (0.44) MAPTKMT2AMEN1RECQLSMN1; SMN2
Hydrochloric Acid SCHEMBL6573128 0.89 KMT2A (0.38) MAPTKMT2AMEN1RECQLSMN1; SMN2
SCHEMBL6575613 0.88 MEN1 (0.38) MAPTKMT2AMEN1RECQLSMN1; SMN2
Hydrochloric Acid SCHEMBL6945703 0.87 MAPT (0.45) MAPTKMT2ASMN1; SMN2HSP90AA1LMNA
SCHEMBL6939931 0.85 MAPT (0.46) MAPTKMT2ASMN1; SMN2LMNAALDH1A1
Hydrochloric Acid SCHEMBL7635538 0.84 POLB (0.36) KMT2AMEN1RECQLLMNAALDH1A1
Hydrochloric Acid SCHEMBL7632203 0.84 CYP1A2 (0.39) MAPTKMT2AMEN1RECQLALDH1A1
Hydrochloric Acid SCHEMBL7628910 0.83 LMNA (0.37) MAPTKMT2AMEN1RECQLLMNA
Hydrochloric Acid SCHEMBL6575342 0.83 MEN1 (0.41) MAPTKMT2AMEN1RECQLSMN1; SMN2
SCHEMBL7805138 0.83 CYP1A2 (0.40) MAPTKMT2AMEN1RECQLALDH1A1

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