SCHEMBL9952073

SCHEMBL9952073

CCS(=O)(=O)c1cccc(C(F)F)c1-c1nccn1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
HDAC4 P56524 1/20 0.35
BRD4 O60885 1/20 0.34
COMT P21964 1/20 0.34
EDNRA P25101 1/20 0.33
NMT1 P30419 1/20 0.32
HTR2C P28335 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SSTR4 P31391 1/20 0.30
KMT2A Q03164 1/20 0.30
DRD1 P21728 1/20 0.30

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
SCHEMBL9952641 0.78 SLC40A1 (0.38) BRD4SSTR4
SCHEMBL9953076 0.77 KDM4E (0.33) KDM4EBRD4COMTEDNRANMT1
SCHEMBL9953584 0.75 BRD4 (0.40) BRD4EDNRANMT1HTR2CKMT2A
SCHEMBL9952655 0.75 CNR2 (0.32) KDM4EBRD4COMTEDNRANMT1
SCHEMBL9953805 0.74 BRD4 (0.49) KDM4EHDAC4BRD4COMTEDNRA
SCHEMBL9953585 0.67 ALOX5AP (0.44) HDAC4BRD4EDNRANMT1HTR2C
SCHEMBL27589731 0.65 BRD4 (0.42) KDM4EHDAC4BRD4HTR2CCASP1
SCHEMBL18989038 0.65 MCL1 (0.44) L3MBTL1
SCHEMBL29755370 0.65 MCL1 (0.44) L3MBTL1
SCHEMBL9953345 0.64 MCL1 (0.34) KDM4E

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