SCHEMBL21610552

SCHEMBL21610552

CC[S+]([O-])c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-c2ccc(-c3cccs3)s2)n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 10/20 0.36
▸ KDM4E B2RXH2 9/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ PPARG P37231 1/20 0.36
▸ NCOA2 Q15596 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ USP2 O75604 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ CASP7 P55210 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ MET P08581 1/20 0.33
▸ PTGS2 P35354 2/20 0.33

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
SCHEMBL21610556 0.88 POLB (0.37) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL21610548 0.84 POLB (0.36) POLB
SCHEMBL23353562 0.83 POLB (0.41) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL21610532 0.80 POLB (0.45) POLBALDH1A1MEN1KMT2ANPC1
SCHEMBL21610523 0.77 POLB (0.41) POLB
SCHEMBL21925164 0.75 POLB (0.37) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL23507240 0.75 POLB (0.41) POLB
SCHEMBL21610554 0.74 POLB (0.37) POLB
SCHEMBL19712009 0.74 POLB (0.41) POLB
SCHEMBL21610553 0.74 POLB (0.36) POLBPTGS2PTGS1

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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