SCHEMBL19981344

SCHEMBL19981344

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.41
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PKM P14618 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CTSA P10619 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HCAR2 Q8TDS4 1/20 0.33
GLA P06280 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
EPHX2 P34913 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTT P42858 1/20 0.32
PDF Q9HBH1 1/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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 0.90 BMP1 (0.39) BMP1POLBL3MBTL1NPC1RAB9A
SCHEMBL19981325 0.83 BMP1 (0.38) BMP1POLBL3MBTL1NPC1RAB9A
SCHEMBL19981329 0.83 VSIR (0.44) BMP1POLBL3MBTL1NPC1RAB9A
SCHEMBL19981138 0.82 BMP1 (0.49) BMP1NPC1RAB9APKMTDP1
SCHEMBL19981337 0.81 BMP1 (0.42) BMP1POLBL3MBTL1NPC1RAB9A
SCHEMBL19981266 0.81 BMP1 (0.37) BMP1POLBL3MBTL1NPC1RAB9A
SCHEMBL19981308 0.81 BMP1 (0.39) BMP1POLBL3MBTL1NPC1RAB9A
SCHEMBL19981170 0.79 BMP1 (0.36) BMP1POLBL3MBTL1NPC1RAB9A
SCHEMBL19981271 0.79 BMP1 (0.43) BMP1POLBL3MBTL1NPC1RAB9A
SCHEMBL18077954 0.78 VSIR (0.51) BMP1POLBL3MBTL1NPC1RAB9A

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