SCHEMBL31534706

SCHEMBL31534706

CCS(=O)(=O)c1ccc(C(=S)NC)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 4/20 0.33
▸ DDR1 Q08345 2/20 0.33
▸ CNR2 P34972 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.30
▸ USP1 O94782 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
SCHEMBL18013099 1.00 RORC (0.33) RORCDDR1CNR2S1PR1KCNH2
SCHEMBL18013098 0.90 DDR1 (0.39) RORCDDR1
SCHEMBL31534708 0.90 DDR1 (0.39) RORCDDR1
SCHEMBL31534712 0.87 DHODH (0.35) RORCDDR1CNR2KCNH2
SCHEMBL17967743 0.87 DHODH (0.35) RORCDDR1CNR2KCNH2
SCHEMBL17967742 0.86 DDR1 (0.35) RORCDDR1CNR2LRRK2
SCHEMBL31534710 0.86 DDR1 (0.35) RORCDDR1CNR2LRRK2
SCHEMBL31561431 0.84 S1PR1 (0.35) RORCDDR1CNR2S1PR1KCNH2
SCHEMBL31534724 0.84 DDR1 (0.33) RORCDDR1CNR2S1PR1KCNH2
SCHEMBL18013206 0.84 DDR1 (0.33) RORCDDR1CNR2S1PR1KCNH2

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-3253757-B1 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2025-03-19 — — EP disclosed
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