SCHEMBL24314452

SCHEMBL24314452

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

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.33

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
SCHEMBL24313997 0.92 S1PR1 (0.34) S1PR1
SCHEMBL24313911 0.90 S1PR1 (0.31) S1PR1
SCHEMBL24314116 0.84 S1PR1 (0.30) S1PR1
SCHEMBL24314114 0.84 S1PR1 (0.30) S1PR1
SCHEMBL24369944 0.83 POLB (0.32) —
SCHEMBL24313916 0.83 — —
SCHEMBL31476245 0.83 LRRK2 (0.30) —
SCHEMBL31476227 0.83 LRRK2 (0.30) —
SCHEMBL24314119 0.83 LRRK2 (0.30) —
SCHEMBL22683338 0.82 — —

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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