SCHEMBL20276049

SCHEMBL20276049

Cn1c(-c2ncc(C3(C#N)CC3)cc2S)nc2cc(C(F)(F)F)cnc21

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 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
SCHEMBL21590034 0.85 CYP1A2 (0.39) POLBTRPM8ALDH1A1CYP1A2
SCHEMBL20267583 0.85 POLB (0.42) POLBCYP1A2
SCHEMBL30122217 0.85 POLB (0.42) POLBCYP1A2
SCHEMBL17844096 0.84 POLB (0.39) POLBTRPM8ALDH1A1
SCHEMBL29904936 0.84 POLB (0.39) POLBTRPM8ALDH1A1
SCHEMBL31476231 0.84 POLB (0.37) POLBTRPM8
SCHEMBL22036969 0.84 POLB (0.37) POLBTRPM8
SCHEMBL31476252 0.84 POLB (0.37) POLBTRPM8
SCHEMBL20628414 0.83 POLB (0.40) POLBCYP1A2
SCHEMBL24695966 0.83 POLB (0.38) POLBTRPM8

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
WO-2018108726-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-06-21 — — WO disclosed
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