SCHEMBL19981267

SCHEMBL19981267

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.34
MMP12 P39900 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
VSIR Q9H7M9 2/20 0.30
CD274 Q9NZQ7 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL19981170 0.91 BMP1 (0.36) BMP1KDM4EGLANPC1PKM
SCHEMBL19981324 0.88 BMP1 (0.36) BMP1MMP12KDM4EGLANPC1
SCHEMBL19981266 0.83 BMP1 (0.37) BMP1KDM4EGLANPC1PKM
SCHEMBL19981329 0.83 VSIR (0.44) BMP1MMP12KDM4EGLANPC1
SCHEMBL19981134 0.81 BMP1 (0.39) BMP1MMP12KDM4EGLANPC1
SCHEMBL19981337 0.79 BMP1 (0.42) BMP1MMP12KDM4EGLANPC1
SCHEMBL19981325 0.78 BMP1 (0.38) BMP1KDM4EGLANPC1PKM
SCHEMBL19981139 0.78 POLB (0.40) BMP1MMP12KDM4ENPC1PKM
SCHEMBL19981328 0.76 BMP1 (0.36) BMP1KDM4ENPC1PKMRAB9A
SCHEMBL18077966 0.72 CD274 (0.61) BMP1KDM4ENPC1PKMRAB9A

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