SCHEMBL31350322

SCHEMBL31350322

Cc1sc2ccc(OCc3cccnc3O)cc2c1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.38
SLC26A4 O43511 2/20 0.38
PARP10 Q53GL7 7/20 0.37
PARP15 Q460N3 3/20 0.37
PARP14 Q460N5 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ICAM1 P05362 2/20 0.35
SELE P16581 2/20 0.35
VCAM1 P19320 1/20 0.35
IKBKB O14920 3/20 0.35
MAOB P27338 1/20 0.34
FFAR1 O14842 1/20 0.34
ROCK1 Q13464 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL31350375 0.88 ICAM1 (0.41) EDNRASLC26A4PARP10PARP15PARP14
SCHEMBL31350334 0.86 CD38 (0.42) EDNRASLC26A4PARP10PARP15PARP14
SCHEMBL30656034 0.86 SLC26A4 (0.33) EDNRASLC26A4PARP10PARP15MEN1
SCHEMBL30656189 0.86 SCN9A (0.36) EDNRASLC26A4MAOB
SCHEMBL26792926 0.84 SCN9A (0.33) EDNRASLC26A4
SCHEMBL30656198 0.84 SCN9A (0.33) EDNRASLC26A4
SCHEMBL30656325 0.84 SCN9A (0.33) EDNRASLC26A4
SCHEMBL31350347 0.83 PARP10 (0.54) EDNRAPARP10
SCHEMBL30656121 0.80 CNR2 (0.38) SLC26A4KMT2A
SCHEMBL30656274 0.78 ADAM17 (0.41) SLC26A4

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