SCHEMBL29431634

SCHEMBL29431634

CCS(=O)(=O)c1cc(C(F)(F)C(F)(F)F)cnc1-c1nc2cc(C(F)(F)C(F)(F)F)cnc2n1C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.32
▸ CNR2 P34972 1/20 0.30
▸ ACSS2 Q9NR19 1/20 0.30
▸ DDR1 Q08345 1/20 0.30
▸ NR1H2 P55055 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
SCHEMBL15862663 1.00 POLB (0.40) POLBLRRK2CNR2ACSS2DDR1
SCHEMBL29431660 0.97 POLB (0.45) POLBLRRK2DDR1NR1H2
SCHEMBL14677420 0.97 POLB (0.45) POLBLRRK2DDR1NR1H2
SCHEMBL15868339 0.97 POLB (0.38) POLBLRRK2
SCHEMBL14684615 0.97 POLB (0.45) POLBLRRK2DDR1NR1H2
SCHEMBL29431643 0.97 POLB (0.45) POLBLRRK2DDR1NR1H2
SCHEMBL15868337 0.95 POLB (0.36) POLBLRRK2CNR2DDR1
SCHEMBL29431671 0.94 POLB (0.39) POLBLRRK2
SCHEMBL15929759 0.94 POLB (0.39) POLBLRRK2
SCHEMBL15933390 0.93 POLB (0.40) POLBLRRK2

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
CN-112021322-B Compositions and methods for controlling pests 住友化学株式会社 2022-04-01 — — CN disclosed
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