SCHEMBL9874706

SCHEMBL9874706

CC(=O)c1c(NC(=O)c2ccc(F)cc2F)cccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.49
HDAC1 Q13547 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
RAB9A P51151 1/20 0.43
BCL3 P20749 1/20 0.43
NTRK2 Q16620 1/20 0.43
TP53 P04637 1/20 0.42
P2RY1 P47900 1/20 0.42
SNCA P37840 1/20 0.41
LMNA P02545 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
SCHEMBL9872356 0.86 SMN1; SMN2 (0.52) SMN1; SMN2RXFP1LMNA
SCHEMBL9872671 0.82 SMN1; SMN2 (0.49) HDAC1SMN1; SMN2RAB9ATP53LMNA
SCHEMBL9875019 0.82 MEN1 (0.56) SMN1; SMN2NPC1RXFP1RAB9ALMNA
SCHEMBL9875470 0.77 ALDH1A1 (0.48) HDAC1RAB9ALMNA
SCHEMBL9874486 0.74 MAPT (0.56) SMN1; SMN2NPC1RXFP1RAB9ALMNA
SCHEMBL17664250 0.74 KDM4E (0.52) NTRK1HDAC1SMN1; SMN2NPC1RXFP1
SCHEMBL9872839 0.73 RAB9A (0.59) SMN1; SMN2NPC1RXFP1RAB9ATP53
SCHEMBL9874730 0.73 CETP (0.46) SMN1; SMN2LMNA
SCHEMBL21870353 0.73 HTT (0.56) NTRK1HDAC1NPC1RAB9ABCL3
SCHEMBL3846350 0.72 SMN1; SMN2 (0.64) NTRK1SMN1; SMN2NPC1RXFP1RAB9A

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