SCHEMBL31091086

SCHEMBL31091086

CCC(=O)Nc1cnc(-c2nc3cc(C(F)(F)F)ncc3n2C)c(S(=O)(=O)CC)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 17/20 0.38
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL22683342 1.00 RORC (0.38) RORCNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30958240 0.92 RORC (0.37) RORC
SCHEMBL22683334 0.92 RORC (0.37) RORC
SCHEMBL30958305 0.91 CNR1 (0.36) RORC
SCHEMBL22683346 0.91 RORC (0.36) RORCSMN1; SMN2
SCHEMBL22683330 0.91 CNR1 (0.36) RORC
SCHEMBL30958261 0.90 AR (0.35) RORC
SCHEMBL22683317 0.90 AR (0.35) RORC
SCHEMBL22683335 0.90 EPHX2 (0.37) RORCNPC1KDM4E
SCHEMBL31091089 0.90 EPHX2 (0.37) RORCNPC1KDM4E

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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