SCHEMBL9953584

SCHEMBL9953584

CCS(=O)(=O)c1cccc(-c2cccc(F)c2)c1-c1nccn1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.40
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
EDNRA P25101 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
QPCT Q16769 2/20 0.36
NMT1 P30419 1/20 0.36
HTR2C P28335 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PRKDC P78527 1/20 0.35
FFAR1 O14842 3/20 0.35
TGFBR1 P36897 1/20 0.34

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
SCHEMBL9952060 0.79 ALDH1A1 (0.40) ALOX5APFEN1QPCTHTR2CMEN1
SCHEMBL9952073 0.75 KDM4E (0.35) BRD4EDNRANMT1HTR2CKMT2A
SCHEMBL9953805 0.75 BRD4 (0.49) BRD4ALOX5APFEN1EDNRAHTR2C
SCHEMBL12320076 0.75 KDR (0.47) BRD4NMT1MEN1KMT2AALDH1A1
SCHEMBL9953585 0.74 ALOX5AP (0.44) BRD4ALOX5APFEN1EDNRANMT1
SCHEMBL9952641 0.74 SLC40A1 (0.38) BRD4FFAR1
SCHEMBL9953076 0.73 KDM4E (0.33) BRD4EDNRANMT1HTR2CALDH1A1
SCHEMBL9952655 0.71 CNR2 (0.32) BRD4EDNRANMT1
SCHEMBL15412045 0.68 GRIN1 (0.44) ALOX5APFEN1QPCTALDH1A1
SCHEMBL18989038 0.66 MCL1 (0.44) ALOX5APFEN1ALDH1A1

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