SCHEMBL6571513

SCHEMBL6571513

COc1cc(NC(=O)Cn2cc[n+](CC(=O)Nc3cc(OC)c(NC(C)=O)cc3O)c2)c(O)cc1NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL7806175 1.00 ALDH1A1 (0.42) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7634969 0.99 ALDH1A1 (0.42) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6572050 0.99 ALDH1A1 (0.42) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7805068 0.92 ALDH1A1 (0.42) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7805136 0.92 ALDH1A1 (0.42) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7635823 0.91 ALDH1A1 (0.42) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7632194 0.91 ALDH1A1 (0.42) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL6946510 0.87 ALDH1A1 (0.44) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL6941720 0.87 ALDH1A1 (0.44) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL6574237 0.87 ALDH1A1 (0.41) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4

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