SCHEMBL28040903

SCHEMBL28040903

NC(=O)c1ccc(C(N)=O)c(-c2ccc(-c3ccccc3F)nc2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 5/20 0.54
ALOX5AP P20292 3/20 0.54
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
HPGDS O60760 1/20 0.49
PDE4B Q07343 1/20 0.45
WNT3A P56704 1/20 0.44
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CHEK2 O96017 3/20 0.42
MKNK1 Q9BUB5 1/20 0.42
DHODH Q02127 1/20 0.42
CDC7 O00311 1/20 0.41
BCAT2 O15382 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL28207103 0.88 FEN1 (0.62) FEN1ALOX5APNPC1RAB9AHPGDS
SCHEMBL28192026 0.83 AR (0.53) FEN1ALOX5APNPC1RAB9AHPGDS
SCHEMBL28191251 0.82 ALOX5AP (0.49) FEN1ALOX5APWNT3A
SCHEMBL18045627 0.75 FEN1 (0.44) FEN1ALOX5APNPC1RAB9AHPGDS
SCHEMBL29400809 0.74 BCAT2 (0.47) FEN1ALOX5APNPC1RAB9ACHEK2
SCHEMBL16098914 0.74 WNT3A (0.60) WNT3A
SCHEMBL3265708 0.73 BCAT2 (0.63) NPC1RAB9ACHEK2MKNK1DHODH
SCHEMBL27898313 0.73 IKBKB (0.48) CHEK2MKNK1BCAT2ALDH1A1
SCHEMBL18045625 0.72 WNT3A (0.50) NPC1RAB9AWNT3ADHODHALDH1A1
SCHEMBL2070102 0.72 LDHA (0.62) NPC1RAB9ADHODHALDH1A1MAPT

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-105228982-A 3-acetylamino-1- (phenyl-heteroaryl-aminocarbonyl or phenyl-heteroaryl-carbonylamino) benzene derivatives for the treatment of hyperproliferative disorders Bayer Pharma AG 2016-01-06 CN disclosed