SCHEMBL9875019

SCHEMBL9875019

CC(=O)c1c(NC(=O)c2ccc(F)cc2)cccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PLK1 P53350 1/20 0.54
PLK3 Q9H4B4 1/20 0.54
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 4/20 0.46
HTT P42858 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
LMNA P02545 3/20 0.45
NPC1 O15118 1/20 0.45
CYP3A4 P08684 1/20 0.45
RAB9A P51151 1/20 0.45
PARP1 P09874 1/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL9874486 0.89 MAPT (0.56) MEN1KMT2APLK1PLK3SMN1; SMN2
SCHEMBL9872839 0.88 RAB9A (0.59) MEN1KMT2APLK1PLK3CYP1A2
SCHEMBL9872671 0.87 SMN1; SMN2 (0.49) MEN1KMT2APLK1PLK3CYP1A2
SCHEMBL9874407 0.86 F10 (0.59) KMT2APLK1PLK3SMN1; SMN2ALDH1A1
SCHEMBL9873952 0.84 NPC1 (0.54) MEN1KMT2APLK1PLK3CYP2D6
SCHEMBL9875470 0.84 ALDH1A1 (0.48) MEN1KMT2APLK1PLK3CYP1A2
SCHEMBL9874706 0.82 NTRK1 (0.49) SMN1; SMN2RXFP1LMNANPC1RAB9A
SCHEMBL9872356 0.80 SMN1; SMN2 (0.52) MEN1KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL9874730 0.77 CETP (0.46) MEN1KMT2APLK1PLK3CYP1A2
SCHEMBL21652294 0.76 MEN1 (0.70) MEN1KMT2ACYP1A2CYP2C19CYP2D6

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
US-5017576-A Antianxiolytic, hypnotic, anticonvulsant, antiepileptic RHONE-POULENC SANTE (FR) 1991-05-21 US disclosed