SCHEMBL7398372

SCHEMBL7398372

CN1c2ccc(NC(=O)c3ccc(C(=NN)C(=O)OCc4ccccc4)cc3)cc2CN(CCc2ccccc2)C(=O)C1(CC(=O)O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.40
ITGA2B P08514 10/20 0.40
ITGAV P06756 2/20 0.37
KDM1A O60341 3/20 0.35
RCOR1 Q9UKL0 3/20 0.35
MAOA P21397 2/20 0.35
KDM1B Q8NB78 2/20 0.35
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
FSHR P23945 1/20 0.33
TNF P01375 1/20 0.33
NOD1 Q9Y239 1/20 0.33
BRD4 O60885 1/20 0.33
ROCK2 O75116 2/20 0.33

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
SCHEMBL7398374 0.79 ITGB3 (0.46) ITGB3ITGA2BITGAVKDM1ARCOR1
SCHEMBL7398292 0.77 ITGB3 (0.52) ITGB3ITGA2BITGAVBRD4
SCHEMBL7397833 0.75 PARP1 (0.41) ITGB3ITGA2BFSHRBRD4
SCHEMBL7439587 0.72 BRD4 (0.39) ITGB3ITGA2BITGAVBRD4
SCHEMBL7399202 0.72 ATM (0.40)
SCHEMBL8401257 0.70 PARP1 (0.35)
SCHEMBL7441463 0.70 MIF (0.40) ITGB3ITGA2BBRD4
SCHEMBL7402544 0.68 ITGB3 (0.46) ITGB3ITGA2BITGAVKDM1ARCOR1
SCHEMBL7402539 0.67 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL7399604 0.65 ITGB3 (0.52) ITGB3ITGA2BITGAV

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 7 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-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO 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