SCHEMBL19981276

SCHEMBL19981276

Cc1cc(CN[C@@H](CC(N)=O)c2nc(-c3cnccn3)no2)n(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.38
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
KCNT1 Q5JUK3 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
EPHX2 P34913 1/20 0.33
KCNH2 Q12809 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDF Q9HBH1 1/20 0.33
MAPK1 P28482 1/20 0.33
KLK3 P07288 1/20 0.31
ATM Q13315 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
VSIR Q9H7M9 2/20 0.30

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
SCHEMBL19973940 0.84 MAPK1 (0.33) MAPK1SYK
SCHEMBL19973939 0.84 MAPK1 (0.33) MAPK1SYK
SCHEMBL19981161 0.77 POLB (0.42) BMP1L3MBTL1MAPK1KLK3
SCHEMBL19981277 0.75 TDP1 (0.45) L3MBTL1TDP1ATMNPC1PKM
SCHEMBL19981330 0.73 BMP1 (0.40) BMP1DPP4DPP8DPP9DPP7
SCHEMBL19867019 0.72 CD274 (0.61) BMP1DPP4DPP8DPP9DPP7
SCHEMBL18077966 0.72 CD274 (0.61) BMP1DPP4DPP8DPP9DPP7
SCHEMBL18078059 0.71 BMP1 (0.46) BMP1DPP4DPP8DPP9DPP7
SCHEMBL19981171 0.71 BMP1 (0.41) BMP1DPP4DPP8DPP9DPP7
SCHEMBL19981329 0.70 VSIR (0.44) BMP1DPP4DPP8DPP9DPP7

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