SCHEMBL19981126

SCHEMBL19981126

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 11/20 0.33
MMP2 P08253 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SRC P12931 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
SLC6A9 P48067 2/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
S1PR1 P21453 1/20 0.30
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
MMP13 P45452 1/20 0.30
HCRTR2 O43614 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
SCHEMBL19981148 0.90 KDM4E (0.38) BMP1MMP2KDM4EALDH1A1LMNA
SCHEMBL18077930 0.73 VSIR (0.47) KDM4EALDH1A1SRCLMNAMAPT
SCHEMBL19866994 0.73 VSIR (0.47) KDM4EALDH1A1SRCLMNAMAPT
SCHEMBL19981147 0.73 BMP1 (0.51) BMP1KDM4EDPP4DPP8DPP9
SCHEMBL5412130 0.67 BMP1 (0.56) BMP1MMP2MMP3
SCHEMBL19981232 0.66 VSIR (0.44) SRCDPP4DPP8
SCHEMBL5405173 0.65 BMP1 (0.72) BMP1MMP2MMP3
SCHEMBL19981155 0.64 VSIR (0.44) SRC
SCHEMBL18077951 0.64 CD274 (0.53) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL19981138 0.63 BMP1 (0.49) BMP1KDM4EALDH1A1DPP4DPP8

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