SCHEMBL31091089

SCHEMBL31091089

CCS(=O)(=O)c1cc(NC(=O)C2CC2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.37
▸ FAAH O00519 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ RORC P51449 4/20 0.35
▸ POLB P06746 2/20 0.34
▸ GNRHR P30968 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL22683335 1.00 EPHX2 (0.37) EPHX2FAAHTRPV1RORCPOLB
SCHEMBL31091086 0.90 RORC (0.38) RORCNPC1KDM4E
SCHEMBL22683342 0.90 RORC (0.38) RORCNPC1KDM4E
SCHEMBL22683334 0.89 RORC (0.37) RORCMAPT
SCHEMBL30958240 0.89 RORC (0.37) RORCMAPT
SCHEMBL22683330 0.88 CNR1 (0.36) RORCMAPT
SCHEMBL30958305 0.88 CNR1 (0.36) RORCMAPT
SCHEMBL22683346 0.88 RORC (0.36) RORC
SCHEMBL22683317 0.87 AR (0.35) RORC
SCHEMBL30958261 0.87 AR (0.35) RORC

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-118745174-A Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达参股股份有限公司 2024-10-08 — — CN claimed
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