SCHEMBL24314116

SCHEMBL24314116

CC[S+]([O-])c1cc(CC#N)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 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
SCHEMBL24314114 0.85 S1PR1 (0.30) S1PR1
SCHEMBL24369944 0.84 POLB (0.32) —
SCHEMBL31476245 0.84 LRRK2 (0.30) —
SCHEMBL31476227 0.84 LRRK2 (0.30) —
SCHEMBL24313916 0.84 — —
SCHEMBL24286108 0.84 S1PR1 (0.31) S1PR1
SCHEMBL24314119 0.84 LRRK2 (0.30) —
SCHEMBL31476241 0.84 — —
SCHEMBL31476261 0.84 — —
SCHEMBL24314452 0.84 S1PR1 (0.33) S1PR1

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
EP-3585770-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-03-23 — — EP disclosed
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