SCHEMBL28484188

SCHEMBL28484188

NC(=O)c1cn(-c2ccccc2-c2cc(F)c(F)c(F)c2)nc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
PARP1 P09874 3/20 0.38
SCN9A Q15858 2/20 0.38
GRM5 P41594 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
CDC7 O00311 2/20 0.36
TGFBR1 P36897 1/20 0.36
BCAT2 O15382 1/20 0.35
JAK2 O60674 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
GPR52 Q9Y2T5 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GALR3 O60755 1/20 0.33

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
SCHEMBL522033 0.80 BTK (0.43) ALOX5APFEN1NPC1RAB9ATGFBR1
SCHEMBL29435113 0.75 BCAT2 (0.61) ALOX5APFEN1PARP1GRM5NPC1
SCHEMBL1555170 0.75 BCAT2 (0.61) ALOX5APFEN1PARP1GRM5NPC1
SCHEMBL1765459 0.71 BCAT2 (0.49) PARP1SCN9ANPC1RAB9ATGFBR1
SCHEMBL23212137 0.71 BCAT2 (0.45) PARP1SCN9ABCAT2ALDH1A1NPSR1
SCHEMBL29370792 0.71 BCAT2 (0.45) PARP1SCN9ABCAT2ALDH1A1NPSR1
SCHEMBL1493279 0.71 BCAT2 (0.45) PARP1SCN9ANPC1RAB9ATGFBR1
SCHEMBL17995065 0.67 CDC7 (0.40) ALOX5APFEN1PARP1NPC1RAB9A
SCHEMBL30337770 0.67 CDC7 (0.40) ALOX5APFEN1PARP1NPC1RAB9A
SCHEMBL2395250 0.64 ALOX5AP (0.39) ALOX5APFEN1CDC7BCAT2ALDH1A1

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
CN-106455574-B Foam formulations and emulsifiable concentrates FMC有限公司 2020-12-01 CN disclosed