SCHEMBL9953345

SCHEMBL9953345

CCS(=O)(=O)c1cc(C(F)(F)F)cc(SC(F)(F)F)c1-c1nccn1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
DDR1 Q08345 14/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SCN9A Q15858 2/20 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
SCHEMBL9953076 0.82 KDM4E (0.33) NPC1RAB9ADDR1KDM4EALDH1A1
SCHEMBL18989038 0.75 MCL1 (0.44) MCL1NPC1RAB9ADDR1ALDH1A1
SCHEMBL17110770 0.75 MCL1 (0.37) MCL1NPC1RAB9ADDR1SCN9A
SCHEMBL29755370 0.75 MCL1 (0.44) MCL1NPC1RAB9ADDR1ALDH1A1
SCHEMBL18424605 0.68 GRIN1 (0.38) MCL1DDR1KDM4EALDH1A1SCN9A
SCHEMBL9952807 0.67 HTR2C (0.34) NPC1RAB9AKDM4EALDH1A1
SCHEMBL9952641 0.67 SLC40A1 (0.38)
SCHEMBL18751299 0.66 DDR1 (0.36) DDR1
SCHEMBL17726166 0.66 KDM4E (0.32) MCL1KDM4E
SCHEMBL29755406 0.65 NPC1 (0.41) MCL1NPC1RAB9ADDR1KDM4E

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