SCHEMBL5778436

SCHEMBL5778436

Cc1noc(C)c1S(=O)(=O)NC(CNC(=O)c1cn(C)c2cc(CNC3NCCN3)ccc2c1=O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.45
ITGAV P06756 5/20 0.45
ITGA2B P08514 11/20 0.42
TP53 P04637 2/20 0.37
GAA P10253 1/20 0.36
F2 P00734 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL5781175 0.88 ITGAV (0.54) ITGB3ITGAVITGA2B
SCHEMBL5778440 0.86 ITGB3 (0.47) ITGB3ITGAVITGA2BTP53F2
SCHEMBL5779811 0.85 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL1067414 0.83 ITGB3 (0.40) ITGB3ITGAVITGA2B
SCHEMBL5780701 0.82 ITGB3 (0.44) ITGB3ITGAVITGA2BTP53F2
SCHEMBL5781291 0.79 ITGAV (0.52) ITGB3ITGAVITGA2B
SCHEMBL5780692 0.79 ITGAV (0.55) ITGB3ITGAVITGA2B
SCHEMBL5776987 0.76 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL5779626 0.76 ITGB3 (0.43) ITGB3ITGAVITGA2BTP53THRB
SCHEMBL5778333 0.76 CNR1 (0.38) ITGB3ITGAVITGA2BF2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944619-B1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-10-11 EP claimed
EP-0944619-B1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-10-11 EP disclosed
US-6358976-B1 FOR THERAPY AND PROPHYLAXIS OF CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, OR MACULAR DEGENERATION LANTHEUS MI REAL ESTATE, LLC 2002-03-19 US disclosed
US-6130231-A SUBSTITUTED 2,3-DIHYDROQUINOLIN-4-ONES DUPONT PHARMACEUTICALS (US) 2000-10-10 US disclosed