SCHEMBL21610489

SCHEMBL21610489

CC[S+]([O-])c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2ccc(C3CC3)nc2)n1C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 4/20 0.34
▸ PIK3CD O00329 2/20 0.33
▸ PIK3R1 P27986 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SYK P43405 3/20 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
SCHEMBL21610553 0.94 POLB (0.36) DGAT1PIK3CDPIK3R1GPR119POLB
SCHEMBL23353746 0.84 DGAT1 (0.36) DGAT1PIK3CDPIK3R1GPR119POLB
SCHEMBL21610522 0.83 — —
SCHEMBL21610491 0.82 — —
SCHEMBL21610560 0.80 POLB (0.31) POLB
SCHEMBL21610526 0.80 CYP1A2 (0.31) POLB
SCHEMBL21610557 0.79 POLB (0.33) POLB
SCHEMBL25885750 0.78 PTGS1 (0.33) DGAT1GPR119POLBSYK
SCHEMBL21610548 0.78 POLB (0.36) POLB
SCHEMBL21610495 0.78 PIK3CD (0.32) PIK3CD

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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