SCHEMBL19981329

SCHEMBL19981329

CC(O)[C@H](NS(=O)(=O)N[C@@H](CC(N)=O)c1nc(-c2cnccn2)no1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 3/20 0.44
CD274 Q9NZQ7 2/20 0.44
BMP1 P13497 1/20 0.38
PDF Q9HBH1 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
MMP12 P39900 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
EPHX2 P34913 1/20 0.32
KCNH2 Q12809 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 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
SCHEMBL19981134 0.93 BMP1 (0.39) VSIRCD274BMP1PDFDPP4
SCHEMBL19981337 0.87 BMP1 (0.42) VSIRCD274BMP1PDFMMP12
SCHEMBL18077966 0.85 CD274 (0.61) VSIRCD274BMP1PDFDPP4
SCHEMBL19867019 0.85 CD274 (0.61) VSIRCD274BMP1PDFDPP4
SCHEMBL19981308 0.85 BMP1 (0.39) VSIRCD274BMP1PDFDPP4
SCHEMBL19981267 0.83 BMP1 (0.34) VSIRCD274BMP1MMP12KDM4E
SCHEMBL19981344 0.83 BMP1 (0.41) BMP1PDFDPP4DPP8DPP9
SCHEMBL19981324 0.81 BMP1 (0.36) BMP1MMP12KDM4EGLAL3MBTL1
SCHEMBL19981139 0.80 POLB (0.40) BMP1MMP12KDM4EL3MBTL1POLB
SCHEMBL19981145 0.78 BMP1 (0.49) BMP1PDFDPP4DPP8DPP9

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