SCHEMBL19981147

SCHEMBL19981147

O=C(O)CC[C@H](NS(=O)(=O)C1CC1)c1nc(-c2cnccn2)no1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 7/20 0.51
ATM Q13315 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
EPHX2 P34913 1/20 0.37
KCNH2 Q12809 1/20 0.37
CTPS1 P17812 4/20 0.37
KDM4E B2RXH2 2/20 0.37
PDF Q9HBH1 1/20 0.36
GLA P06280 1/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL19981138 0.91 BMP1 (0.49) BMP1ATMADAMTS5TDP1EPHX2
SCHEMBL19981145 0.86 BMP1 (0.49) BMP1ATMADAMTS5TDP1EPHX2
SCHEMBL19981128 0.84 BMP1 (0.44) BMP1ATMADAMTS5TDP1EPHX2
SCHEMBL19981271 0.82 BMP1 (0.43) BMP1ATMADAMTS5TDP1EPHX2
SCHEMBL19981337 0.80 BMP1 (0.42) BMP1ATMADAMTS5TDP1EPHX2
SCHEMBL19866982 0.74 VSIR (0.45) BMP1ATMADAMTS5TDP1EPHX2
SCHEMBL18077937 0.74 VSIR (0.45) BMP1ATMADAMTS5TDP1EPHX2
SCHEMBL19981126 0.73 BMP1 (0.33) BMP1KDM4EDPP4DPP8DPP9
SCHEMBL19981344 0.73 BMP1 (0.41) BMP1ATMADAMTS5TDP1EPHX2
SCHEMBL19981238 0.70 BMP1 (0.42) BMP1CTPS1DPP4

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