SCHEMBL20170558

SCHEMBL20170558

CC(O)C(NC(=O)NCc1nnc([C@@H](N)CO)o1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.50
VSIR Q9H7M9 3/20 0.50
PDCD1LG2 Q9BQ51 2/20 0.49
PDCD1 Q15116 1/20 0.45
HDAC8 Q9BY41 5/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL20170520 1.00 CD274 (0.50) CD274VSIRPDCD1LG2PDCD1HDAC8
SCHEMBL19969086 0.90 CD274 (0.44) CD274VSIRPDCD1LG2PDCD1HDAC8
SCHEMBL20170571 0.90 CD274 (0.49) CD274VSIRPDCD1LG2PDCD1HDAC8
SCHEMBL20170572 0.90 CD274 (0.49) CD274VSIRPDCD1LG2PDCD1HDAC8
SCHEMBL20170542 0.89 HDAC8 (0.42) CD274VSIRPDCD1LG2PDCD1HDAC8
SCHEMBL19413592 0.89 HDAC8 (0.42) CD274VSIRPDCD1LG2PDCD1HDAC8
SCHEMBL20170552 0.88 HDAC8 (0.41) CD274VSIRPDCD1LG2PDCD1HDAC8
SCHEMBL20170561 0.88 CD274 (0.41) CD274VSIRPDCD1LG2PDCD1HDAC8
SCHEMBL20170525 0.85 HDAC8 (0.38) CD274VSIRPDCD1LG2PDCD1HDAC8
SCHEMBL20170521 0.83 HDAC8 (0.40) CD274VSIRHDAC8HDAC1HDAC2

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