SCHEMBL20170530

SCHEMBL20170530

NCc1nnc(C(CC(N)=O)NC(=O)NCC(=O)O)o1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 3/20 0.34
CD274 Q9NZQ7 2/20 0.34
ADAMTS4 O75173 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NOTUM Q6P988 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
SCHEMBL20057096 0.78 VSIR (0.45) VSIRCD274
SCHEMBL20057341 0.78 VSIR (0.45) VSIRCD274
SCHEMBL20170535 0.72 PKM (0.36) NOTUM
SCHEMBL20170522 0.72 PKM (0.36) NOTUM
SCHEMBL19984999 0.71 CD274 (0.56) VSIRCD274PDCD1LG2
SCHEMBL19969059 0.70 NOTUM (0.39) MAPTL3MBTL1NOTUM
SCHEMBL20057106 0.70 VSIR (0.67) VSIRCD274PDCD1LG2
SCHEMBL21738417 0.70 VSIR (0.67) VSIRCD274PDCD1LG2
SCHEMBL20057381 0.68 VSIR (0.56) VSIRCD274PDCD1LG2
SCHEMBL18078269 0.68 VSIR (0.55) VSIRCD274PDCD1LG2

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-3041828-B1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE DERIVATIVES AS IMMUNOMODULATORS AURIGENE DISCOVERY TECH LTD (IN) 2018-05-23 EP disclosed