SCHEMBL21610553

SCHEMBL21610553

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ DGAT1 O75907 4/20 0.35
▸ GPR119 Q8TDV5 1/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ PIK3R1 P27986 1/20 0.33
▸ SYK P43405 4/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ TRPC3 Q13507 1/20 0.30
▸ TRPC7 Q9HCX4 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ GRM2 Q14416 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
SCHEMBL21610489 0.94 DGAT1 (0.34) POLBDGAT1GPR119PIK3CDPIK3R1
SCHEMBL21610548 0.83 POLB (0.36) POLBDRD2DRD4DRD3GRM2
SCHEMBL23353832 0.83 POLB (0.39) POLBDGAT1GPR119PIK3CDPIK3R1
SCHEMBL21610555 0.83 POLB (0.35) POLB
SCHEMBL21610537 0.79 POLB (0.35) POLB
SCHEMBL21610498 0.79 POLB (0.35) POLB
SCHEMBL21610532 0.79 POLB (0.45) POLB
SCHEMBL21610554 0.78 POLB (0.37) POLB
SCHEMBL24174804 0.78 DGAT1 (0.32) DGAT1SYK
SCHEMBL21610523 0.77 POLB (0.41) POLB

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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