SCHEMBL30968452

SCHEMBL30968452

N[C@@H](CO)Cc1ccc(Cl)nc1Cl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
LTA4H P09960 1/20 0.31
KCNH2 Q12809 1/20 0.31
TKT P29401 2/20 0.31
SCN9A Q15858 1/20 0.30

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
SCHEMBL20722390 1.00 SLC6A4 (0.34) SLC6A4PDCD1LG2CD274LTA4HKCNH2
SCHEMBL21685384 1.00 SLC6A4 (0.34) SLC6A4PDCD1LG2CD274LTA4HKCNH2
SCHEMBL20722890 0.76 USP2 (0.45)
SCHEMBL20722892 0.76 USP2 (0.45)
SCHEMBL30968506 0.74 KDM4E (0.40) TKT
SCHEMBL844810 0.74 KDM4E (0.40) TKT
SCHEMBL31583261 0.71 SCN4A (0.33) PDCD1LG2CD274
SCHEMBL28586342 0.71 PTGS2 (0.41) PDCD1LG2CD274
SCHEMBL30060129 0.71 PTGS2 (0.41) PDCD1LG2CD274
SCHEMBL20732114 0.71 PTGS2 (0.41) PDCD1LG2CD274

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
CN-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed