SCHEMBL7596531

SCHEMBL7596531

CN(CC(=O)O)/[N+]([O-])=N\O.[NaH].[NaH]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
BLM P54132 2/20 0.34
MEN1 O00255 1/20 0.34
HBB P68871 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALOX15 P16050 2/20 0.33
EYA2 O00167 1/20 0.33
APP P05067 1/20 0.33
ACE P12821 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
TSHR P16473 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP2C19 P33261 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
SCHEMBL4860492 0.98 LMNA (0.36) LMNABLMMEN1HBBKMT2A
SCHEMBL4860482 0.98 LMNA (0.36) LMNABLMMEN1HBBKMT2A
SCHEMBL4860473 0.98 LMNA (0.36) LMNABLMMEN1HBBKMT2A
SCHEMBL14066120 0.98 LMNA (0.36) LMNABLMMEN1HBBKMT2A
SCHEMBL6013898 0.74 CYP3A4 (0.35) LMNAALOX15CYP3A4
SCHEMBL29956579 0.73
SCHEMBL15406522 0.67 MAPT (0.39) TDP1ALOX15CYP3A4KDM4E
SCHEMBL18229249 0.66 TDP1 (0.45) LMNABLMHIF1ATDP1ALOX15
SCHEMBL6323180 0.66 TDP1 (0.45) LMNABLMHIF1ATDP1ALOX15
SCHEMBL6518392 0.66 TDP1 (0.45) LMNABLMHIF1ATDP1ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6491617-B1 Medical devices that resist restenosis ST. JUDE MEDICAL, INC. 2002-12-10 US disclosed
EP-1251901-A1 MEDICAL DEVICES THAT RESIST RESTENOSIS ST. JUDE MEDICAL, INC. (US) 2002-10-30 EP disclosed
WO-2001049358-A1 MEDICAL DEVICES THAT RESIST RESTENOSIS ST. JUDE MEDICAL, INC. (US) 2001-07-12 WO disclosed