SCHEMBL29679692

SCHEMBL29679692

CCS(=O)(=O)c1ccc(C2CC2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 14/20 0.37
▸ KCNH2 Q12809 2/20 0.36
▸ RORC P51449 1/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 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
SCHEMBL17949556 1.00 CNR2 (0.37) CNR2KCNH2RORCALOX5APDGAT1
SCHEMBL17941539 0.86 CNR2 (0.33) CNR2KCNH2ALOX5AP
SCHEMBL29679431 0.85 CNR2 (0.34) CNR2KCNH2ALOX5APNPC1RAB9A
SCHEMBL17941363 0.85 CNR2 (0.34) CNR2KCNH2ALOX5APNPC1RAB9A
SCHEMBL31534714 0.85 CNR2 (0.35) CNR2KCNH2RORCNPC1RAB9A
SCHEMBL17967726 0.85 CNR2 (0.35) CNR2KCNH2RORCNPC1RAB9A
SCHEMBL18013264 0.85 CNR2 (0.35) CNR2KCNH2RORCNPC1RAB9A
SCHEMBL31534711 0.85 CNR2 (0.35) CNR2KCNH2RORCNPC1RAB9A
SCHEMBL29679790 0.85 KCNH2 (0.38) CNR2KCNH2RORCNPC1RAB9A
SCHEMBL17949394 0.85 KCNH2 (0.38) CNR2KCNH2RORCNPC1RAB9A

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-114524819-A Pesticidally active polycyclic derivatives with sulfur-containing substituents 先正达参股股份有限公司 2022-05-24 — — CN disclosed
Send feedback