SCHEMBL29431597

SCHEMBL29431597

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ EGLN1 Q9GZT9 2/20 0.33
▸ CRHR1 P34998 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PKM P14618 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
SCHEMBL15933503 1.00 POLB (0.43) POLBEGLN1CRHR1CYP1A2CYP3A4
SCHEMBL14684615 0.93 POLB (0.45) POLBEGLN1CRHR1
SCHEMBL29431643 0.93 POLB (0.45) POLBEGLN1CRHR1
SCHEMBL14677420 0.93 POLB (0.45) POLBEGLN1CRHR1
SCHEMBL29431660 0.93 POLB (0.45) POLBEGLN1CRHR1
SCHEMBL17342179 0.92 POLB (0.44) POLBEGLN1CRHR1CYP1A2CYP3A4
SCHEMBL29431634 0.90 POLB (0.40) POLB
SCHEMBL15862663 0.90 POLB (0.40) POLB
SCHEMBL14684583 0.88 POLB (0.48) POLBEGLN1CRHR1
SCHEMBL29360277 0.88 POLB (0.48) POLBEGLN1CRHR1

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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