SCHEMBL9258647

SCHEMBL9258647

[CH2]c1csc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TLR7 Q9NYK1 1/20 0.51
PIM1 P11309 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 2/20 0.43
IDE P14735 1/20 0.43
MAPK10 P53779 1/20 0.43
AR P10275 1/20 0.43
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
RAB9A P51151 2/20 0.43
EIF4E P06730 1/20 0.43
NPC1 O15118 1/20 0.43
CTSS P25774 1/20 0.42
GRM5 P41594 1/20 0.42
IDO1 P14902 1/20 0.41
NOTUM Q6P988 1/20 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
SCHEMBL28743338 0.83 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AKDM4ETLR7
SCHEMBL9831167 0.81 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AKDM4ETLR7
SCHEMBL9258652 0.81 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AKDM4ETLR7
SCHEMBL2307278 0.80 KIF11 (0.47) ALDH1A1MEN1KMT2AKDM4ETLR7
SCHEMBL30279814 0.79 KMT2A (0.67) ALDH1A1MEN1KMT2AKDM4ETLR7
SCHEMBL21479644 0.79 KMT2A (0.67) ALDH1A1MEN1KMT2AKDM4ETLR7
SCHEMBL5547113 0.79 KDM4E (0.60) ALDH1A1MEN1KMT2AKDM4ETLR7
SCHEMBL9261381 0.78 GRM5 (0.45) ALDH1A1KDM4EPIM1CTSSGRM5
SCHEMBL1198910 0.78 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AKDM4ETLR7
SCHEMBL1198258 0.78 KDM4E (0.58) ALDH1A1MEN1KMT2AKDM4ETLR7

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-5395845-A Insecticides ROUSSEL-UCLAF (FR) 1995-03-07 US disclosed