SCHEMBL31350375

SCHEMBL31350375

COc1ncccc1COc1ccc2sc(C)c(C(N)=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
VCAM1 P19320 1/20 0.41
IKBKB O14920 3/20 0.40
PARP10 Q53GL7 3/20 0.40
PARP15 Q460N3 2/20 0.40
PARP14 Q460N5 1/20 0.39
EDNRA P25101 1/20 0.39
SLC13A5 Q86YT5 1/20 0.38
ROCK2 O75116 4/20 0.37
PRNP P04156 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
PPARG P37231 1/20 0.37
HTT P42858 1/20 0.37
MAPK10 P53779 1/20 0.37
NCOA2 Q15596 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL31350322 0.88 EDNRA (0.38) ICAM1SELEVCAM1IKBKBPARP10
SCHEMBL30656180 0.86 HPGDS (0.37) ICAM1SELEVCAM1IKBKBEDNRA
SCHEMBL30656124 0.86 HPGDS (0.37) ICAM1SELEVCAM1IKBKBEDNRA
SCHEMBL30656194 0.86 SLC13A5 (0.37) IKBKBPARP10PARP15PARP14EDNRA
SCHEMBL30656105 0.85 CD274 (0.34) ICAM1SELEVCAM1IKBKBPARP10
SCHEMBL26793645 0.85 CD274 (0.34) ICAM1SELEVCAM1IKBKBPARP10
SCHEMBL31350334 0.84 CD38 (0.42) IKBKBPARP10PARP15PARP14EDNRA
SCHEMBL30656112 0.82 CD274 (0.35) EDNRASLC13A5L3MBTL1
SCHEMBL31350347 0.81 PARP10 (0.54) PARP10EDNRATSHRMAPK1PPARG
SCHEMBL30656330 0.81 CD274 (0.37) L3MBTL1

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