SCHEMBL30656124

SCHEMBL30656124

COc1ncccc1COc1ccc2sc(C)c(C(=O)N[C@@H](C)C(N)=O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.37
EDNRA P25101 1/20 0.36
MAOB P27338 3/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
VCAM1 P19320 1/20 0.36
SCN9A Q15858 1/20 0.35
GPR132 Q9UNW8 1/20 0.35
CD274 Q9NZQ7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
IKBKB O14920 1/20 0.34
MAOA P21397 1/20 0.34
LRRK2 Q5S007 1/20 0.34
SCN3A Q9NY46 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
SCHEMBL30656180 1.00 HPGDS (0.37) HPGDSEDNRAMAOBICAM1SELE
SCHEMBL30656105 0.90 CD274 (0.34) EDNRAICAM1SELEVCAM1CD274
SCHEMBL26793645 0.90 CD274 (0.34) EDNRAICAM1SELEVCAM1CD274
SCHEMBL30656189 0.90 SCN9A (0.36) HPGDSEDNRAMAOBSCN9AGPR132
SCHEMBL30656226 0.86 CD38 (0.37) HPGDSEDNRAMAOBSCN9AGPR132
SCHEMBL30656258 0.86 CD38 (0.37) HPGDSEDNRAMAOBSCN9AGPR132
SCHEMBL31350375 0.86 ICAM1 (0.41) EDNRAICAM1SELEVCAM1L3MBTL1
SCHEMBL30656194 0.84 SLC13A5 (0.37) EDNRAL3MBTL1HDAC6IKBKB
SCHEMBL30656338 0.84 PARP10 (0.43) EDNRAMAOBGPR132MAOA
SCHEMBL30656142 0.84 PARP10 (0.43) EDNRAMAOBGPR132MAOA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4532013-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2025-04-09 EP claimed
WO-2023227697-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO claimed
EP-4532013-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2025-04-09 EP disclosed
WO-2023227697-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed