SCHEMBL21738417

SCHEMBL21738417

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

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 3/20 0.67
CD274 Q9NZQ7 3/20 0.67
PDCD1LG2 Q9BQ51 1/20 0.38
PDCD1 Q15116 1/20 0.33
BMP1 P13497 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
SCHEMBL20057106 1.00 VSIR (0.67) VSIRCD274PDCD1LG2PDCD1BMP1
SCHEMBL20057381 0.91 VSIR (0.56) VSIRCD274PDCD1LG2BMP1
SCHEMBL18078269 0.91 VSIR (0.55) VSIRCD274PDCD1LG2PDCD1
SCHEMBL21738486 0.84 CD274 (0.73) VSIRCD274PDCD1LG2PDCD1
SCHEMBL16557026 0.84 CD274 (0.73) VSIRCD274PDCD1LG2PDCD1
SCHEMBL18078182 0.83 CD274 (0.78) VSIRCD274PDCD1LG2PDCD1
SCHEMBL20057341 0.82 VSIR (0.45) VSIRCD274BMP1
SCHEMBL20057096 0.82 VSIR (0.45) VSIRCD274BMP1
SCHEMBL24595311 0.81 VSIR (0.67) VSIRCD274PDCD1LG2
SCHEMBL18078134 0.81 VSIR (0.67) 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-3363790-B1 1,2,4-OXADIAZOLE DERIVATIVES AS IMMUNOMODULATORS AURIGENE DISCOVERY TECH LTD (IN) 2020-02-19 EP disclosed