SCHEMBL31350334

SCHEMBL31350334

Cc1sc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.42
MAOB P27338 3/20 0.39
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
PARP10 Q53GL7 4/20 0.36
PARP15 Q460N3 3/20 0.36
PARP14 Q460N5 2/20 0.36
EDNRA P25101 1/20 0.36
GRM2 Q14416 1/20 0.35
SLC26A4 O43511 2/20 0.35
PPARG P37231 1/20 0.35
OPRL1 P41146 1/20 0.35
MAOA P21397 1/20 0.34
PLK1 P53350 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.33
IKBKB O14920 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
SCHEMBL30656120 0.91 SLC26A4 (0.42) CD38MAOBPPARDPPARAEDNRA
SCHEMBL30656331 0.89 ALDH1A1 (0.38) CD38MAOBPPARDPPARAEDNRA
SCHEMBL30655957 0.88 CD38 (0.38) CD38MAOBPPARDPPARAEDNRA
SCHEMBL30656258 0.87 CD38 (0.37) CD38MAOBEDNRAOPRL1MAOA
SCHEMBL30656226 0.87 CD38 (0.37) CD38MAOBEDNRAOPRL1MAOA
SCHEMBL31350322 0.86 EDNRA (0.38) MAOBPARP10PARP15PARP14EDNRA
SCHEMBL30656176 0.85 CD38 (0.36) CD38MAOBPPARDPPARAEDNRA
SCHEMBL30656016 0.85 CD38 (0.36) CD38MAOBPPARDPPARAEDNRA
SCHEMBL30656197 0.85 SCN9A (0.35) CD38PPARDPPARASLC26A4PPARG
SCHEMBL31350375 0.84 ICAM1 (0.41) PARP10PARP15PARP14EDNRASLC26A4

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-119421879-A Novel derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2025-02-11 CN claimed
CN-119421879-A Novel derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2025-02-11 CN disclosed