SCHEMBL19981337

SCHEMBL19981337

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 2/20 0.42
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
VSIR Q9H7M9 2/20 0.33
MMP12 P39900 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
PDF Q9HBH1 1/20 0.32
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
EPHX2 P34913 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
SCHEMBL19981134 0.91 BMP1 (0.39) BMP1KDM4EGLATDP1VSIR
SCHEMBL19981329 0.87 VSIR (0.44) BMP1KDM4EGLATDP1VSIR
SCHEMBL19981271 0.85 BMP1 (0.43) BMP1KDM4EGLATDP1L3MBTL1
SCHEMBL19866982 0.85 VSIR (0.45) BMP1TDP1VSIRCD274L3MBTL1
SCHEMBL18077937 0.85 VSIR (0.45) BMP1TDP1VSIRCD274L3MBTL1
SCHEMBL19981128 0.84 BMP1 (0.44) BMP1KDM4EGLATDP1L3MBTL1
SCHEMBL19981324 0.83 BMP1 (0.36) BMP1KDM4EGLATDP1MMP12
SCHEMBL19981344 0.81 BMP1 (0.41) BMP1KDM4EGLATDP1L3MBTL1
SCHEMBL19981147 0.80 BMP1 (0.51) BMP1KDM4EGLATDP1PDF
SCHEMBL19981139 0.80 POLB (0.40) BMP1KDM4ETDP1MMP12L3MBTL1

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