SCHEMBL6943676

SCHEMBL6943676

COc1ccc(O)c(NC(=O)Cn2cc[n+](C)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 2/20 0.41

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 SCHEMBL6945631 0.99 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6572938 0.86 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL6573019 0.85 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6941358 0.82 POLB (0.56) ALDH1A1MAPK1KMT2AMEN1L3MBTL1
SCHEMBL6943172 0.82 MAPT (0.49) ALDH1A1KDM4EMAPK1KMT2AMEN1
Hydrochloric Acid SCHEMBL6944291 0.81 POLB (0.55) ALDH1A1MAPK1KMT2AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL6940683 0.81 HPGD (0.48) ALDH1A1KDM4EMAPK1KMT2AMEN1
SCHEMBL6939897 0.81 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6939461 0.80 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL6940903 0.80 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