SCHEMBL24286108

SCHEMBL24286108

CC[S+]([O-])c1ccc(CC#N)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.31

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
SCHEMBL24314116 0.84 S1PR1 (0.30) S1PR1
SCHEMBL24286075 0.84 MEN1 (0.32) —
SCHEMBL24285908 0.82 — —
SCHEMBL24286740 0.81 S1PR1 (0.30) S1PR1
SCHEMBL17697064 0.81 PTGS2 (0.35) —
SCHEMBL17941364 0.81 S1PR1 (0.35) S1PR1
SCHEMBL17949447 0.79 PDE10A (0.35) —
SCHEMBL24286076 0.79 TP53 (0.33) —
SCHEMBL24314114 0.79 S1PR1 (0.30) S1PR1
SCHEMBL24313916 0.78 — —

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-3247712-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-04-20 — — EP disclosed
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