SCHEMBL30958272

SCHEMBL30958272

CCS(=O)(=O)c1cc(N(C)C(=O)CCl)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GRIN2B Q13224 2/20 0.31
▸ DDR1 Q08345 2/20 0.30
▸ RORC P51449 1/20 0.30
▸ QRFPR Q96P65 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ IRAK4 Q9NWZ3 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
SCHEMBL22683339 1.00 CNR2 (0.32) CNR2ALDH1A1KDM4EGRIN2BDDR1
SCHEMBL31091120 0.93 CNR2 (0.32) CNR2ALDH1A1KDM4EGRIN2BRORC
SCHEMBL22683354 0.93 CNR2 (0.32) CNR2ALDH1A1KDM4EGRIN2BRORC
SCHEMBL22683351 0.91 CNR2 (0.32) CNR2ALDH1A1KDM4EGRIN2BQRFPR
SCHEMBL30958223 0.91 CNR2 (0.31) CNR2ALDH1A1KDM4EQRFPR
SCHEMBL22683307 0.91 CNR2 (0.31) CNR2ALDH1A1KDM4EQRFPR
SCHEMBL22683337 0.91 POLQ (0.30) CNR2DDR1RORC
SCHEMBL30958278 0.91 POLQ (0.30) CNR2DDR1RORC
SCHEMBL22683347 0.90 CNR2 (0.33) CNR2DDR1RORCQRFPR
SCHEMBL31091090 0.90 CNR2 (0.33) CNR2DDR1RORCQRFPR

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-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
CN-111836810-B Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达参股股份有限公司 2024-06-25 — — CN claimed
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