SCHEMBL21869888

SCHEMBL21869888

CCS(=O)(=O)c1cc(NCC(C)C)c(N)cc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.34
▸ PTGS2 P35354 1/20 0.32
▸ S1PR1 P21453 2/20 0.32
▸ BRAF P15056 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
SCHEMBL17824432 0.86 CNR2 (0.35) PTGS2S1PR1
SCHEMBL17824387 0.86 S1PR1 (0.31) S1PR1
SCHEMBL17832721 0.85 PIK3CA (0.35) S1PR1
SCHEMBL22190266 0.81 KCNH2 (0.34) S1PR1
SCHEMBL17832781 0.81 CA12 (0.35) PTGS2
SCHEMBL17824483 0.81 KCNH2 (0.33) PTGS2
SCHEMBL19684513 0.79 LRRK2 (0.33) S1PR1
SCHEMBL17824513 0.79 CA12 (0.36) PTGS2S1PR1
SCHEMBL19684781 0.79 S1PR1 (0.32) S1PR1
SCHEMBL17832777 0.79 CA12 (0.34) PTGS2S1PR1

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-3230284-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-15 — — EP disclosed
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