SCHEMBL20635912

SCHEMBL20635912

CC[S+]([O-])c1cccnc1-c1nc2cc(Br)ncc2n1C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CARM1 Q86X55 1/20 0.31
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL20635927 0.88 NPC1 (0.34) NPC1RAB9AKDM4ELMNACA12
SCHEMBL17697064 0.84 PTGS2 (0.35) NPC1RAB9AKDM4ELMNACA12
SCHEMBL15868327 0.83 NPC1 (0.40) NPC1RAB9AKDM4ELMNACA12
SCHEMBL20635348 0.83 NPC1 (0.32) NPC1RAB9AKDM4ELMNACA12
SCHEMBL20635343 0.82 NPC1 (0.31) NPC1RAB9ACARM1
SCHEMBL24286095 0.81 ALOX5AP (0.31) CYP11B1CYP11B2
SCHEMBL20628411 0.80 POLB (0.32) NPC1RAB9A
SCHEMBL29431625 0.79 HTR2B (0.38) NPC1RAB9AKDM4ECA12CA9
SCHEMBL14684635 0.79 HTR2B (0.38) NPC1RAB9AKDM4ECA12CA9
SCHEMBL17331330 0.78 MAPT (0.43) NPC1RAB9AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019008115-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-01-10 — — WO disclosed
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