SCHEMBL19981271

SCHEMBL19981271

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 4/20 0.43
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 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
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PKM P14618 1/20 0.32
ATM Q13315 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
PDF Q9HBH1 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL19981308 0.87 BMP1 (0.39) BMP1KDM4EGLAL3MBTL1LMNA
SCHEMBL19981128 0.85 BMP1 (0.44) BMP1KDM4EGLAL3MBTL1LMNA
SCHEMBL19981337 0.85 BMP1 (0.42) BMP1KDM4EGLAL3MBTL1LMNA
SCHEMBL19981147 0.82 BMP1 (0.51) BMP1KDM4EGLAEPHX2KCNH2
SCHEMBL19981169 0.79 L3MBTL1 (0.40) BMP1KDM4EL3MBTL1EPHX2KCNH2
SCHEMBL19981344 0.79 BMP1 (0.41) BMP1KDM4EGLAL3MBTL1LMNA
SCHEMBL19981134 0.76 BMP1 (0.39) BMP1KDM4EGLAL3MBTL1LMNA
SCHEMBL19866982 0.74 VSIR (0.45) BMP1L3MBTL1LMNATSHREPHX2
SCHEMBL18077937 0.74 VSIR (0.45) BMP1L3MBTL1LMNATSHREPHX2
SCHEMBL25040314 0.73 BMP1 (0.32) BMP1EPHX2KCNH2

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