SCHEMBL7679035

SCHEMBL7679035

O=C(NCc1ccncc1)Nc1cccc(-c2ccc(CC(NS(=O)(=O)c3ccccc3Cl)C(=O)O)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.66
ITGAV P06756 18/20 0.66
NAMPT P43490 2/20 0.53

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
SCHEMBL5878631 1.00 ITGB3 (0.66) ITGB3ITGAVNAMPT
SCHEMBL5878634 1.00 ITGB3 (0.66) ITGB3ITGAVNAMPT
SCHEMBL5878092 0.91 ITGB3 (0.65) ITGB3ITGAV
SCHEMBL5878086 0.91 ITGB3 (0.65) ITGB3ITGAV
SCHEMBL5878276 0.91 ITGB3 (0.64) ITGB3ITGAVNAMPT
SCHEMBL5878133 0.89 ITGB3 (0.64) ITGB3ITGAV
SCHEMBL5878434 0.89 ITGB3 (0.64) ITGB3ITGAV
SCHEMBL5878482 0.87 ITGB3 (0.62) ITGB3ITGAVNAMPT
SCHEMBL5878489 0.87 ITGB3 (0.62) ITGB3ITGAVNAMPT
SCHEMBL5878731 0.85 ITGB3 (0.89) ITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420396-B1 TREATMENT OF CANCER, ARTERIOSCLEROSIS, RESTENOSIS, OSTEOLYTIC DISORDERS, OPHTHALMIC DISORDERS, AND THEIR USE AS INTEGRIN ANTAGONISTS. INHIBITING ANGIOGENESIS BEIERSDORF AG (DE) 2002-07-16 US disclosed