SCHEMBL31422912

SCHEMBL31422912

O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1cc2ccc(C3CCC3)c(F)c2[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.36
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
ALOX5AP P20292 5/20 0.33
FEN1 P39748 5/20 0.33
DAO P14920 1/20 0.33
DDO Q99489 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 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
SCHEMBL31423276 0.86 ALDH1A1 (0.45) CNR2ALDH1A1
SCHEMBL31423210 0.85 CNR2 (0.44) CNR2ALDH1A1
SCHEMBL31422771 0.84 PDK2 (0.47) CNR2PDK2PDK4ALDH1A1
SCHEMBL31423086 0.83 CNR2 (0.39) CNR2DAODDOALDH1A1
SCHEMBL31273321 0.80 MMP9 (0.38) DAODDOALDH1A1
SCHEMBL31423163 0.78 NOTUM (0.43) CNR2PDK2PDK4DAODDO
SCHEMBL31422826 0.78 NOTUM (0.33) CNR2PDK2PDK4DAODDO
SCHEMBL31422848 0.78 CNR2 (0.34) CNR2DAODDO
SCHEMBL31423302 0.78 MMP9 (0.36) DAODDOALDH1A1
SCHEMBL31422995 0.77 CNR2 (0.33) CNR2

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
WO-2025085233-A1 NOVEL DERIVATIVES OF QUINOLINONES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-04-24 WO disclosed