SCHEMBL29904938

SCHEMBL29904938

CCS(=O)(=O)c1ccc(C2(C#N)CC2)nc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ DDR1 Q08345 8/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL17844190 1.00 POLB (0.39) POLBDDR1TRPM8
SCHEMBL20997774 0.85 DRD2 (0.30) DDR1
SCHEMBL17844096 0.85 POLB (0.39) POLBDDR1TRPM8
SCHEMBL29904936 0.85 POLB (0.39) POLBDDR1TRPM8
SCHEMBL17609373 0.83 POLB (0.37) POLBDDR1TRPM8
SCHEMBL17949388 0.83 S1PR1 (0.33) DDR1
SCHEMBL23507301 0.82 POLB (0.45) POLBDDR1
SCHEMBL17844102 0.82 POLB (0.41) POLBDDR1
SCHEMBL29904943 0.82 POLB (0.41) POLBDDR1
SCHEMBL17858042 0.82 POLB (0.38) POLBDDR1TRPM8

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
CN-110526911-B Pesticidally active heterocyclic derivatives with sulfur-containing substituents 先正达参股股份有限公司 2022-09-13 — — CN disclosed
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