SCHEMBL7399767

SCHEMBL7399767

COC(=O)CC1Nc2ccc([N+](=O)[O-])cc2CNC1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
ITGB3 P05106 3/20 0.39
ITGAV P06756 3/20 0.39
MAPT P10636 2/20 0.38
PNMT P11086 3/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL7401262 0.83 ITGB3 (0.42) ALDH1A1GAALMNAITGB3ITGAV
SCHEMBL7917615 0.82 ITGB3 (0.41) ALDH1A1GAALMNAITGB3ITGAV
SCHEMBL7078802 0.81 ITGB3 (0.49) ITGB3ITGAVMAPT
SCHEMBL7398660 0.81 DRD2 (0.39) ALDH1A1PNMTADRA2AADRA2BADRA2C
SCHEMBL8525635 0.79 JAK2 (0.46) ALDH1A1GAALMNAITGB3ITGAV
SCHEMBL14279562 0.76 PNMT (0.47) PNMTADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL7437290 0.71 PNMT (0.42) ALDH1A1MAPTPNMTADRA2AADRA2B
SCHEMBL9021160 0.70 GAA (0.43) GAAITGB3ITGAV
SCHEMBL9021166 0.70 GAA (0.43) GAAITGB3ITGAV
SCHEMBL7514000 0.70 ALDH1A1 (0.51) ALDH1A1GAALMNAPNMTADRA2A

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 5 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-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