SCHEMBL9953585

SCHEMBL9953585

CCS(=O)(=O)c1ccccc1-c1cc(-c2nccn2C)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.44
FEN1 P39748 4/20 0.44
EDNRA P25101 1/20 0.44
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HDAC4 P56524 1/20 0.39
NMT1 P30419 1/20 0.39
CYP2D6 P10635 1/20 0.39
USP1 O94782 1/20 0.38
SCD O00767 1/20 0.38
NR1I2 O75469 1/20 0.37
HSD11B1 P28845 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
ACLY P53396 1/20 0.37

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
SCHEMBL9953805 0.81 BRD4 (0.49) ALOX5APFEN1EDNRAHDAC4USP1
SCHEMBL9952063 0.78 FEN1 (0.39) ALOX5APFEN1EDNRAHDAC4NMT1
SCHEMBL9953584 0.74 BRD4 (0.40) ALOX5APFEN1EDNRANMT1BRD4
SCHEMBL12320192 0.71 HDAC4 (0.43) CYP1A2CYP3A4HDAC4NMT1BRD4
SCHEMBL14960634 0.70 BRD4 (0.53) HDAC4HSD11B1BRD4HTR2C
SCHEMBL14960646 0.68 TGFBR1 (0.50) HDAC4ACLYF10
SCHEMBL29755370 0.67 MCL1 (0.44) ALOX5APFEN1
SCHEMBL18989038 0.67 MCL1 (0.44) ALOX5APFEN1
SCHEMBL9952073 0.67 KDM4E (0.35) EDNRAHDAC4NMT1BRD4HTR2C
SCHEMBL20463142 0.67 ACLY (0.39) NMT1NR1I2HSD11B1ACLYBRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655337-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF Sumitomo Chemical Company Limited (JP) 2013-10-30 EP disclosed
WO-2012086848-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-28 WO disclosed