SCHEMBL19981330

SCHEMBL19981330

NC(=O)C[C@H](NCCN[C@@H](CO)C(=O)O)c1nc(-c2cnccn2)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.40
VSIR Q9H7M9 2/20 0.36
CD274 Q9NZQ7 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PKM P14618 1/20 0.33
EPHX2 P34913 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDF Q9HBH1 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ATM Q13315 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
SCHEMBL19981308 0.85 BMP1 (0.39) BMP1VSIRCD274DPP4DPP8
SCHEMBL19981171 0.76 BMP1 (0.41) BMP1VSIRCD274DPP4DPP8
SCHEMBL19867019 0.75 CD274 (0.61) BMP1VSIRCD274DPP4DPP8
SCHEMBL18077966 0.75 CD274 (0.61) BMP1VSIRCD274DPP4DPP8
SCHEMBL18078059 0.75 BMP1 (0.46) BMP1DPP4DPP8DPP9DPP7
SCHEMBL19981329 0.74 VSIR (0.44) BMP1VSIRCD274DPP4DPP8
SCHEMBL19981145 0.73 BMP1 (0.49) BMP1DPP4DPP8DPP9DPP7
SCHEMBL19981271 0.73 BMP1 (0.43) BMP1NPC1RAB9APKMEPHX2
SCHEMBL19981161 0.73 POLB (0.42) BMP1L3MBTL1POLB
SCHEMBL19981276 0.73 BMP1 (0.38) BMP1VSIRCD274DPP4DPP8

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