SCHEMBL6946400

SCHEMBL6946400

COC(=O)Nc1cc(O)c(NC(=O)Cn2cc[n+](C)c2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.38
MAPT P10636 5/20 0.38
LMNA P02545 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ALOX15 P16050 1/20 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
SCHEMBL6939598 1.00 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL6944884 0.99 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL6939556 0.99 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6941720 0.91 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6946510 0.91 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL6944983 0.90 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL6943294 0.90 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6574230 0.87 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL7805068 0.87 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL7805136 0.87 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E

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-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP claimed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP disclosed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP disclosed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO disclosed