SCHEMBL9951982

SCHEMBL9951982

CCSc1cc(F)cc(C(F)(F)F)c1-c1nccn1C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
OPRK1 P41145 3/20 0.32
DDR1 Q08345 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL9952956 0.88 KMT2A (0.36) NPC1RAB9AOPRK1KDM4EALDH1A1
SCHEMBL9952738 0.86 RAB9A (0.33) NPC1RAB9AOPRK1DDR1ALDH1A1
SCHEMBL9952037 0.76 OPRK1 (0.32) OPRK1
SCHEMBL9952318 0.72 ALDH1A1 (0.35) NPC1RAB9AKDM4EALDH1A1
SCHEMBL9952936 0.72 NPC1 (0.35) NPC1RAB9AOPRK1KDM4EALDH1A1
SCHEMBL9953108 0.72 KMT2A (0.36) NPC1RAB9AOPRK1ALDH1A1LRRK2
SCHEMBL29755406 0.71 NPC1 (0.41) NPC1RAB9ADDR1KDM4EALDH1A1
SCHEMBL3721717 0.71 NPC1 (0.37) NPC1RAB9AOPRK1KDM4EALDH1A1
SCHEMBL18988970 0.71 NPC1 (0.41) NPC1RAB9ADDR1KDM4EALDH1A1
SCHEMBL17110778 0.71 NPC1 (0.37) NPC1RAB9ADDR1KDM4EALDH1A1

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