SCHEMBL20170561

SCHEMBL20170561

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.41
VSIR Q9H7M9 3/20 0.41
PDCD1LG2 Q9BQ51 2/20 0.40
HDAC8 Q9BY41 5/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
PDCD1 Q15116 1/20 0.37
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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 0.88 CD274 (0.50) CD274VSIRPDCD1LG2HDAC8HDAC1
SCHEMBL20170558 0.88 CD274 (0.50) CD274VSIRPDCD1LG2HDAC8HDAC1
SCHEMBL19969086 0.87 CD274 (0.44) CD274VSIRPDCD1LG2HDAC8HDAC1
SCHEMBL20170571 0.87 CD274 (0.49) CD274VSIRPDCD1LG2HDAC8HDAC1
SCHEMBL20170572 0.87 CD274 (0.49) CD274VSIRPDCD1LG2HDAC8HDAC1
SCHEMBL19413592 0.86 HDAC8 (0.42) CD274VSIRPDCD1LG2HDAC8HDAC1
SCHEMBL20170542 0.86 HDAC8 (0.42) CD274VSIRPDCD1LG2HDAC8HDAC1
SCHEMBL20170552 0.85 HDAC8 (0.41) CD274VSIRPDCD1LG2HDAC8HDAC1
SCHEMBL19984857 0.77 CD274 (0.37) CD274VSIRPDCD1LG2HDAC8HDAC1
SCHEMBL19984992 0.77 MAPK1 (0.39) CD274VSIRPDCD1LG2HDAC8HDAC1

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