SCHEMBL6572970

SCHEMBL6572970

Cc1c(Cl)cc(NC(=O)Cn2cc[n+](CC(=O)Nc3cc(Cl)c(C)c(Cl)c3O)c2)c(O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.41
MAPK1 P28482 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 4/20 0.38
POLB P06746 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 5/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RECQL P46063 1/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
RAB9A P51151 1/20 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
Hydrochloric Acid SCHEMBL6573781 0.99 MAPK1 (0.40) HPGDMAPK1LMNAHTTPOLB
SCHEMBL6574937 0.91 HPGD (0.40) HPGDMAPK1LMNAHTTPOLB
Hydrochloric Acid SCHEMBL6571886 0.91 HPGD (0.40) HPGDMAPK1LMNAHTTPOLB
SCHEMBL6573660 0.87 KMT2A (0.34) HPGDMAPK1LMNAHTTPOLB
SCHEMBL6941327 0.86 HPGD (0.43) HPGDMAPK1LMNAHTTPOLB
SCHEMBL6573675 0.86 ALDH1A1 (0.36) HPGDMAPK1LMNAHTTPOLB
Hydrochloric Acid SCHEMBL6572968 0.86 POLB (0.35) HPGDMAPK1LMNAHTTPOLB
Hydrochloric Acid SCHEMBL5484769 0.85 HPGD (0.42) HPGDMAPK1LMNAHTTPOLB
Hydrochloric Acid SCHEMBL6572714 0.85 ALDH1A1 (0.37) HPGDMAPK1LMNAHTTPOLB
SCHEMBL6572100 0.84 HPGD (0.43) HPGDMAPK1LMNAHTTPOLB

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 6 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
EP-1066263-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
WO-2000043368-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
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 disclosed
EP-1066263-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP disclosed
WO-2000043368-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO disclosed