SCHEMBL19981346

SCHEMBL19981346

CC(O)[C@H](NC(=O)NCc1nc(CC(=O)O)no1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 3/20 0.40
CD274 Q9NZQ7 3/20 0.40
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
PDCD1LG2 Q9BQ51 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PDCD1 Q15116 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL19981348 1.00 VSIR (0.40) VSIRCD274MAPK1TSHRPDCD1LG2
SCHEMBL20057097 0.89 CD274 (0.43) VSIRCD274MAPK1TSHRPDCD1LG2
SCHEMBL20057121 0.89 CD274 (0.43) VSIRCD274MAPK1TSHRPDCD1LG2
SCHEMBL24058548 0.81 CD274 (0.52) VSIRCD274MAPK1TSHRPDCD1LG2
SCHEMBL20057117 0.80 CD274 (0.48) VSIRCD274MAPK1TSHRPDCD1LG2
SCHEMBL20057111 0.80 CD274 (0.48) VSIRCD274MAPK1TSHRPDCD1LG2
SCHEMBL19969046 0.79 CD274 (0.53) VSIRCD274MAPK1TSHRPDCD1LG2
SCHEMBL24086161 0.79 CD274 (0.53) VSIRCD274MAPK1TSHRPDCD1LG2
SCHEMBL24058469 0.79 CD274 (0.47) VSIRCD274MAPK1TSHRPDCD1LG2
SCHEMBL24058471 0.79 CD274 (0.47) VSIRCD274MAPK1TSHRPDCD1LG2

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
WO-2018051254-A1 CYCLIC SUBSTITUTED-1,2,4-OXADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-22 WO disclosed