SCHEMBL21738486

SCHEMBL21738486

NC(=O)CC(NC(=O)N[C@@H](CO)C(=O)O)c1nc([C@@H](N)CO)no1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.73
VSIR Q9H7M9 3/20 0.73
PDCD1LG2 Q9BQ51 2/20 0.42
PDCD1 Q15116 1/20 0.37
TGFBR1 P36897 2/20 0.35
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
CA2 P00918 2/20 0.30
CA1 P00915 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
SCHEMBL16557026 1.00 CD274 (0.73) CD274VSIRPDCD1LG2PDCD1TGFBR1
SCHEMBL16557050 0.92 VSIR (0.62) CD274VSIRPDCD1LG2PDCD1TGFBR1
SCHEMBL24058483 0.91 VSIR (0.68) CD274VSIRPDCD1LG2PDCD1CA2
SCHEMBL18078247 0.91 VSIR (0.68) CD274VSIRPDCD1LG2PDCD1CA2
SCHEMBL18078208 0.90 VSIR (0.59) CD274VSIRPDCD1LG2TGFBR1CA2
SCHEMBL24058475 0.90 CD274 (0.70) CD274VSIRPDCD1LG2PDCD1
SCHEMBL24595311 0.90 VSIR (0.67) CD274VSIRPDCD1LG2
SCHEMBL18078134 0.90 VSIR (0.67) CD274VSIRPDCD1LG2
SCHEMBL18719759 0.90 CD274 (0.69) CD274VSIRPDCD1LG2PDCD1
SCHEMBL16557044 0.89 VSIR (0.59) CD274VSIRPDCD1LG2TGFBR1CA2

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
EP-3363790-B1 1,2,4-OXADIAZOLE DERIVATIVES AS IMMUNOMODULATORS AURIGENE DISCOVERY TECH LTD (IN) 2020-02-19 EP disclosed