SCHEMBL7402148

SCHEMBL7402148

O=[N+]([O-])c1ccc2c(c1)CC(=NO)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.49
ADRA2A P08913 3/20 0.49
MAPT P10636 3/20 0.45
TLR9 Q9NR96 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TDP2 O95551 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
HSP90AA1 P07900 2/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
GRIN2B Q13224 1/20 0.39

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
SCHEMBL28046038 0.89 MAPT (0.49) PNMTADRA2AMAPTTLR9MEN1
SCHEMBL30709850 0.79 PNMT (0.65) PNMTADRA2AMAPTTLR9MEN1
SCHEMBL9483063 0.79 PNMT (0.65) PNMTADRA2AMAPTTLR9MEN1
SCHEMBL1870205 0.77 PNMT (0.54) PNMTADRA2AMAPTTLR9MEN1
Ammonia Solution, Strong SCHEMBL27905491 0.74 LMNA (0.62) PNMTADRA2AMAPTTLR9MEN1
SCHEMBL18019504 0.73 HTT (0.54) PNMTADRA2AMAPTTLR9MEN1
SCHEMBL467503 0.73 PNMT (0.57) PNMTADRA2AMAPTTLR9MEN1
SCHEMBL1715396 0.72 PNMT (0.61) PNMTADRA2AMAPTTLR9MEN1
SCHEMBL2083495 0.72 PNMT (0.61) PNMTADRA2AMAPTTLR9MEN1
SCHEMBL7305880 0.72 PNMT (0.46) PNMTADRA2AMAPTTLR9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO disclosed