SCHEMBL23507301

SCHEMBL23507301

CCS(=O)(=O)c1ccc(C)nc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ DDR1 Q08345 14/20 0.35
▸ S1PR1 P21453 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ PKM P14618 1/20 0.32

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
SCHEMBL18498763 0.91 POLB (0.45) POLBDDR1S1PR1LRRK2
SCHEMBL17844037 0.90 POLB (0.44) POLBDDR1PKM
SCHEMBL18498665 0.90 POLB (0.44) POLBDDR1S1PR1LRRK2
SCHEMBL21051267 0.88 POLB (0.43) POLBDDR1S1PR1LRRK2
SCHEMBL31608704 0.88 POLB (0.43) POLBDDR1S1PR1LRRK2
SCHEMBL30002340 0.88 POLB (0.43) POLBDDR1S1PR1LRRK2
SCHEMBL21051264 0.88 POLB (0.43) POLBDDR1S1PR1LRRK2
SCHEMBL14684583 0.87 POLB (0.48) POLBDDR1S1PR1LRRK2
SCHEMBL29360277 0.87 POLB (0.48) POLBDDR1S1PR1LRRK2
SCHEMBL14677002 0.86 POLB (0.45) POLBDDR1PKM

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
EP-3331870-B1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-06-16 — — EP disclosed
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