SCHEMBL7090621

SCHEMBL7090621

O=C(O)c1cc2ccccc2c(C(F)(F)F)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
GLA P06280 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GPR35 Q9HC97 2/20 0.48
POLB P06746 1/20 0.46
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46
CDC25B P30305 4/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL24895088 0.84 CYP1A2 (0.53) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL24895076 0.84 POLB (0.58) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL31401681 0.79 MEN1 (0.70) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL28652 0.79 MEN1 (0.70) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL30354048 0.79 MEN1 (0.70) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL4311547 0.78 WDR5 (0.59) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL9516045 0.78 ALDH1A1 (0.62) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL31214834 0.78 MEN1 (0.68) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL10417205 0.78 MEN1 (0.68) MEN1KMT2AALDH1A1HPGDKDM4E
Lithium SCHEMBL31214940 0.78 MEN1 (0.68) MEN1KMT2AALDH1A1HPGDKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0881545-B1 Positively-chargeable charge control agent and toner for developing electrostatic images ORIENT CHEMICAL IND (JP) 2003-08-20 EP disclosed