SCHEMBL31504428

SCHEMBL31504428

NC(=O)c1cccc(Nc2ccc(OCc3ccccn3)cc2C2CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.52
▸ OPRM1 P35372 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ CNR2 P34972 2/20 0.42
▸ SIRT2 Q8IXJ6 2/20 0.41
▸ GPR132 Q9UNW8 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ MAPK14 Q16539 3/20 0.40
▸ SMO Q99835 3/20 0.40
▸ RHOA P61586 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ PPIA P62937 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39

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
SCHEMBL21617298 1.00 PARP10 (0.52) PARP10OPRM1OPRK1KCNH2CNR2
SCHEMBL21617195 0.86 MET (0.44) PARP10CNR2TYK2JAK3RHOA
SCHEMBL31504418 0.84 CNR2 (0.42) CNR2GPR132MAPK14SMO
SCHEMBL31504340 0.84 BRD4 (0.40) CNR2SIRT2GPR132MAPK14SMO
SCHEMBL21617246 0.84 BRD4 (0.40) CNR2SIRT2GPR132MAPK14SMO
SCHEMBL21617255 0.84 CNR2 (0.42) CNR2GPR132MAPK14SMO
SCHEMBL31504358 0.83 HPGD (0.40) CNR2SIRT2GPR132MAPK14SMO
SCHEMBL21617185 0.83 HPGD (0.40) CNR2SIRT2GPR132MAPK14SMO
SCHEMBL21617203 0.83 PTGES2 (0.43) PARP10TYK2JAK3ROCK1
SCHEMBL31504369 0.83 PTGES2 (0.43) PARP10TYK2JAK3ROCK1

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-112638877-B Phenyl/pyridinyl-N-phenyl/pyridinyl derivatives for the treatment of RNA viral infections ABIVAX公司 2025-04-22 — — CN disclosed
Send feedback