SCHEMBL9874407

SCHEMBL9874407

COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C(C)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.59
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
KMT2A Q03164 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 1/20 0.51

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 0.86 MEN1 (0.56) NPC1RAB9AKMT2ARXFP1MAPT
SCHEMBL9874486 0.86 MAPT (0.56) NPC1RAB9AKMT2ARXFP1MAPT
SCHEMBL9872839 0.85 RAB9A (0.59) NPC1RAB9AKMT2ARXFP1MAPT
SCHEMBL9873952 0.81 NPC1 (0.54) NPC1RAB9AKMT2ARXFP1MAPT
SCHEMBL9872671 0.79 SMN1; SMN2 (0.49) RAB9AKMT2AHDAC1HDAC6MAPT
SCHEMBL9875470 0.78 ALDH1A1 (0.48) RAB9AKMT2AHDAC1HDAC6MAPT
SCHEMBL9872356 0.74 SMN1; SMN2 (0.52) KMT2ARXFP1KDM4ESMN1; SMN2LMNA
SCHEMBL7245758 0.74 F10 (0.59) F10NPC1RAB9AKMT2AHDAC1
SCHEMBL9874730 0.74 CETP (0.46) KMT2AKDM4ESMN1; SMN2LMNAPLK1
SCHEMBL314038 0.74 F10 (0.77) F10NPC1RAB9AKMT2ARXFP1

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