SCHEMBL7979154

SCHEMBL7979154

Cn1nc(CCCNc2ccccn2)c2cccc(C(=O)NCC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)C(=O)O)c21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.51
ITGAV P06756 17/20 0.51
ITGA2B P08514 14/20 0.51
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
MMP12 P39900 2/20 0.38
MMP14 P50281 2/20 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
SCHEMBL7982238 0.90 ITGAV (0.52) ITGB3ITGAVITGA2B
SCHEMBL7982175 0.89 ITGAV (0.47) ITGB3ITGAVITGA2B
SCHEMBL7979281 0.88 ITGAV (0.59) ITGB3ITGAVITGA2B
SCHEMBL7969370 0.88 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL7969228 0.86 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL7980652 0.85 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL7969236 0.83 ITGB3 (0.39) ITGB3ITGAVITGA2BMMP2MMP9
SCHEMBL7985750 0.80 ITGB3 (0.37) ITGB3ITGAVITGA2BMMP2MMP9
SCHEMBL7985747 0.80 ITGB3 (0.37) ITGB3ITGAVITGA2BMMP2MMP9
SCHEMBL7356042 0.80 ITGB3 (0.54) ITGB3ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US claimed
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US disclosed