SCHEMBL30002340

SCHEMBL30002340

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ DDR1 Q08345 11/20 0.33
▸ RORC P51449 1/20 0.31
▸ PDE10A Q9Y233 2/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31

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
SCHEMBL18498665 0.88 POLB (0.44) POLBDDR1S1PR1LRRK2
SCHEMBL23507301 0.88 POLB (0.45) POLBDDR1S1PR1LRRK2
SCHEMBL17844102 0.88 POLB (0.41) POLBDDR1RORCPDE10A
SCHEMBL29904943 0.88 POLB (0.41) POLBDDR1RORCPDE10A
SCHEMBL18498763 0.87 POLB (0.45) POLBDDR1S1PR1LRRK2
SCHEMBL17844037 0.86 POLB (0.44) POLBDDR1
SCHEMBL21051267 0.84 POLB (0.43) POLBDDR1RORCPDE10AS1PR1
SCHEMBL21051264 0.84 POLB (0.43) POLBDDR1PDE10AS1PR1LRRK2
SCHEMBL31608704 0.84 POLB (0.43) POLBDDR1RORCPDE10AS1PR1
SCHEMBL14684583 0.83 POLB (0.48) POLBDDR1S1PR1EGLN1LRRK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115181116-B Fused ring compound with sulfur-containing substituent, preparation method, pesticide composition and application 江苏中旗科技股份有限公司 2024-11-26 — — CN disclosed
CN-115181116-A Fused ring compound with sulfur-containing substituent, preparation method, pesticide composition and application 江苏中旗科技股份有限公司 2022-10-14 — — CN disclosed
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