SCHEMBL20104432

SCHEMBL20104432

CC[S+]([O-])c1cccnc1-c1nc2cc(C(F)(F)F)n(OC)c(=O)c2n1C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.31
PTGS2 P35354 2/20 0.31
DRD1 P21728 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL23811257 0.90 PTGS2 (0.33) TRPV1PTGS2MAOAMAOB
SCHEMBL20104437 0.85
SCHEMBL20104541 0.85
SCHEMBL23811223 0.85 POLB (0.33) MAOAMAOB
SCHEMBL20104487 0.85
SCHEMBL20104457 0.83 TRPV1 (0.31) TRPV1
SCHEMBL20104431 0.83 DDR1 (0.34) TRPV1PTGS2
SCHEMBL20104474 0.82
SCHEMBL23811227 0.81 PIK3CA (0.30)
SCHEMBL20104434 0.80

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-3532471-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-09-15 EP disclosed
WO-2018077565-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-05-03 WO disclosed