SCHEMBL19981148

SCHEMBL19981148

O=C(O)C[C@H](NS(=O)(=O)C1CC1)c1nc(N2CCCC2)no1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
CTSA P10619 2/20 0.34
DPP4 P27487 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
BMP1 P13497 5/20 0.32
MMP2 P08253 1/20 0.32
HCRTR2 O43614 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 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
SCHEMBL19981126 0.90 BMP1 (0.33) KDM4ELMNAALDH1A1MAPTTSHR
SCHEMBL19981138 0.72 BMP1 (0.49) KDM4EALDH1A1DPP4DPP8DPP9
SCHEMBL18077951 0.71 CD274 (0.53) KDM4ELMNAALDH1A1MAPTTSHR
SCHEMBL5412130 0.68 BMP1 (0.56) BMP1MMP2
SCHEMBL5404213 0.68 BMP1 (0.56) BMP1MMP2
SCHEMBL18078143 0.67 VSIR (0.52) BMP1
SCHEMBL19871033 0.67 BMP1 (0.31) BMP1
SCHEMBL19981135 0.66 BMP1 (0.45) LMNATSHRDPP4DPP7BMP1
SCHEMBL18078144 0.66 VSIR (0.50) BMP1MMP2
SCHEMBL22677564 0.66 VSIR (0.43) BMP1

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