SCHEMBL21610537

SCHEMBL21610537

CC[S+]([O-])c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-c2ccc(C3(C#N)CC3)cc2)n1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ PIK3C2A O00443 1/20 0.32
▸ PIK3C2B O00750 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ AXL P30530 1/20 0.30
▸ TYRO3 Q06418 1/20 0.30
▸ MERTK Q12866 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
SCHEMBL21610526 0.94 CYP1A2 (0.31) POLBCYP1A2PIK3C2APIK3C2BPIK3CA
SCHEMBL21610498 0.92 POLB (0.35) POLB
SCHEMBL21610495 0.87 PIK3CD (0.32) —
SCHEMBL21610560 0.87 POLB (0.31) POLB
SCHEMBL21610491 0.85 — —
SCHEMBL21609573 0.84 POLB (0.38) POLBTRPM8CYP1A2PIK3C2APIK3C2B
SCHEMBL22036969 0.83 POLB (0.37) POLBTRPM8
SCHEMBL31476231 0.83 POLB (0.37) POLBTRPM8
SCHEMBL31476252 0.83 POLB (0.37) POLBTRPM8
SCHEMBL31476225 0.83 POLB (0.36) POLBTRPM8CYP1A2ALDH1A1

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-2020002082-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 — — WO disclosed
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