SCHEMBL21610554

SCHEMBL21610554

CC[S+]([O-])c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-c2cccc(C3(N)CC3)c2)n1C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ GRIN1 Q05586 4/20 0.32
▸ GRIN2B Q13224 4/20 0.32
▸ BCDIN3D Q7Z5W3 1/20 0.30
▸ ATR Q13535 1/20 0.30
▸ AKT1 P31749 1/20 0.30
▸ AKT2 P31751 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
SCHEMBL21610557 0.94 POLB (0.33) POLBSIGMAR1ADORA2B
SCHEMBL21610495 0.83 PIK3CD (0.32) SIGMAR1
SCHEMBL21610498 0.81 POLB (0.35) POLB
SCHEMBL21610537 0.81 POLB (0.35) POLB
SCHEMBL21610556 0.81 POLB (0.37) POLBGRIN1GRIN2B
SCHEMBL21610553 0.78 POLB (0.36) POLB
SCHEMBL21610523 0.78 POLB (0.41) POLB
SCHEMBL21610532 0.78 POLB (0.45) POLB
SCHEMBL21610560 0.76 POLB (0.31) POLB
SCHEMBL19712009 0.75 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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