SCHEMBL9872671

SCHEMBL9872671

CC(=O)c1c(NC(=O)c2cccc(F)c2)cccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
KCNK3 O14649 2/20 0.47
KCNK9 Q9NPC2 1/20 0.47
RAB9A P51151 1/20 0.47
PLK1 P53350 1/20 0.47
PLK3 Q9H4B4 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL9875019 0.87 MEN1 (0.56) SMN1; SMN2CYP1A2CYP3A4MEN1KMT2A
SCHEMBL9875470 0.84 ALDH1A1 (0.48) CYP1A2GAAMEN1KMT2AMAPT
SCHEMBL9874706 0.82 NTRK1 (0.49) SMN1; SMN2LMNARAB9AHDAC1TP53
SCHEMBL9874486 0.82 MAPT (0.56) SMN1; SMN2TDP1GAAMEN1KMT2A
SCHEMBL9872839 0.81 RAB9A (0.59) SMN1; SMN2CYP1A2GAAMEN1KMT2A
SCHEMBL9874407 0.79 F10 (0.59) SMN1; SMN2GAAKMT2AMAPTLMNA
SCHEMBL9872356 0.78 SMN1; SMN2 (0.52) SMN1; SMN2TDP1GAAMEN1KMT2A
SCHEMBL15233687 0.77 SMN1; SMN2 (0.52) SMN1; SMN2POLBTDP1CYP1A2CYP3A4
SCHEMBL9873952 0.77 NPC1 (0.54) SMN1; SMN2POLBGAAMEN1KMT2A
SCHEMBL9874730 0.75 CETP (0.46) SMN1; SMN2POLBCYP1A2CYP3A4GAA

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