SCHEMBL7976545

SCHEMBL7976545

Nc1nc(Nc2ccccc2)nc(-c2ccc(C(=O)NCC(NC(=O)OCc3ccccc3)C(=O)O)s2)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.52
ITGAV P06756 15/20 0.52
ITGA2B P08514 6/20 0.52
EGLN2 Q96KS0 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39
ITGB5 P18084 1/20 0.39
CTSK P43235 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7451864 1.00 ITGB3 (0.52) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL7448493 0.91 ITGB3 (0.43) ITGB3ITGAVITGA2BCTSKL3MBTL1
SCHEMBL7974296 0.91 ITGB3 (0.43) ITGB3ITGAVITGA2BCTSKL3MBTL1
SCHEMBL5626363 0.74 ITGB3 (0.63) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL5626356 0.74 ITGB3 (0.63) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL7452995 0.73 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7453000 0.73 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL31370468 0.69 CTSK (0.61) ITGB3ITGA2BPPARGPPARACTSK
SCHEMBL7511424 0.69 CTSK (0.61) ITGB3ITGA2BPPARGPPARACTSK
SCHEMBL7240669 0.69 ITGB3 (0.74) ITGB3ITGAVITGA2BPPARGPPARA

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-6274620-B1 2-BENZENESULFONYLAMINO-3-((5-BROMO-THIOPHENE-2-CARBONYL)-AMINO )PROPIONIC ACID-TERT-BUTYL ESTERS AS ANGIOGENESIS INHIBITORS; ANTICARCINOGENIC AGENTS; OSTEOPOROSIS, RESTENOSIS, AND OCULAR NEOVASCULARIZATION BIOCHEM PHARMA INC. (CA) 2001-08-14 US disclosed