SCHEMBL19981291

SCHEMBL19981291

CC(O)[C@H](NS(=O)(=O)N[C@@H](CC(N)=O)c1nc(-c2cc(F)ccc2F)no1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 2/20 0.42
CD274 Q9NZQ7 1/20 0.42
DPP4 P27487 6/20 0.37
DPP7 Q9UHL4 4/20 0.37
S1PR1 P21453 5/20 0.35
MMP12 P39900 1/20 0.34
SLC9A1 P19634 2/20 0.33
IDH1 O75874 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 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
SCHEMBL18077936 0.86 CD274 (0.58) VSIRCD274DPP4DPP7S1PR1
SCHEMBL19867093 0.86 CD274 (0.58) VSIRCD274DPP4DPP7S1PR1
SCHEMBL19981133 0.86 DPP4 (0.36) VSIRCD274DPP4DPP7S1PR1
SCHEMBL19981159 0.79 DPP4 (0.38) DPP4DPP7S1PR1SLC9A1IDH1
SCHEMBL24476314 0.79 DPP4 (0.39) DPP4DPP7S1PR1SLC9A1HDAC6
SCHEMBL19867021 0.79 VSIR (0.48) VSIRCD274DPP4DPP7S1PR1
SCHEMBL18077943 0.79 VSIR (0.48) VSIRCD274DPP4DPP7S1PR1
SCHEMBL19981329 0.78 VSIR (0.44) VSIRCD274DPP4DPP7MMP12
SCHEMBL19981143 0.77 DPP4 (0.34) DPP4DPP7S1PR1SLC9A1HDAC6
SCHEMBL18077932 0.76 VSIR (0.43) VSIRCD274DPP4DPP7S1PR1

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