SCHEMBL21610526

SCHEMBL21610526

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

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.31
▸ PIK3C2A O00443 1/20 0.31
▸ PIK3C2B O00750 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL21610537 0.94 POLB (0.35) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL21610495 0.92 PIK3CD (0.32) —
SCHEMBL21610560 0.92 POLB (0.31) POLB
SCHEMBL21610491 0.91 — —
SCHEMBL21610498 0.87 POLB (0.35) POLB
SCHEMBL23353551 0.84 ALDH1A1 (0.34) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL21610557 0.82 POLB (0.33) POLB
SCHEMBL21610489 0.80 DGAT1 (0.34) POLB
SCHEMBL21609573 0.79 POLB (0.38) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL31081644 0.79 ALDH1A1 (0.36) PIK3C2APIK3C2BPIK3CAMTORPOLB

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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