Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6574924

Nc1cccc(O)c1NC(=O)Cn1cc[n+](CC(=O)Nc2c(N)cccc2O)c1.[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 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 3/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.33
HSP90AA1 P07900 4/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
UBE2N P61088 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
SCHEMBL6573847 0.99 MEN1 (0.42) KMT2AMEN1RECQLLMNACA12
Hydrochloric Acid SCHEMBL6942128 0.86 LMNA (0.41) KMT2AMEN1RECQLLMNACA12
SCHEMBL6945490 0.84 LMNA (0.41) KMT2AMEN1RECQLLMNACA12
Hydrochloric Acid SCHEMBL7636177 0.84 KMT2A (0.39) KMT2AMEN1RECQLLMNACA12
Hydrochloric Acid SCHEMBL6571648 0.83 MEN1 (0.36) KMT2AMEN1RECQLLMNAALDH1A1
SCHEMBL6575589 0.82 MEN1 (0.37) KMT2AMEN1RECQLLMNAALDH1A1
Hydrochloric Acid SCHEMBL6572793 0.81 KMT2A (0.47) KMT2AMEN1RECQLLMNAALDH1A1
SCHEMBL6574287 0.80 KMT2A (0.48) KMT2AMEN1RECQLLMNAALDH1A1
Hydrochloric Acid SCHEMBL6944402 0.79 KMT2A (0.54) KMT2AMEN1LMNAALDH1A1MAPK1
Bromide SCHEMBL22408334 0.79 CA12 (0.47) KMT2AMEN1RECQLLMNACA12

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