SCHEMBL7969236

SCHEMBL7969236

Cn1nc(CCCNC2NCCN2)c2cccc(C(=O)NCC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)C(=O)O)c21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.39
ITGA2B P08514 9/20 0.39
ITGAV P06756 4/20 0.39
MMP2 P08253 11/20 0.38
MMP9 P14780 10/20 0.38
MMP8 P22894 6/20 0.38
MMP12 P39900 6/20 0.38
MMP14 P50281 6/20 0.38
ADAMTS4 O75173 1/20 0.37

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
SCHEMBL7985750 0.91 ITGB3 (0.37) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL7980578 0.89 ITGAV (0.42) ITGB3ITGA2BITGAV
SCHEMBL7985747 0.89 ITGB3 (0.37) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL7980561 0.89 ITGAV (0.45) ITGB3ITGA2BITGAV
SCHEMBL7969234 0.87 ITGAV (0.48) ITGB3ITGA2BITGAV
SCHEMBL7969228 0.85 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL7985842 0.85 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL7979154 0.83 ITGB3 (0.51) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL7969370 0.83 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL7980535 0.81 ITGB3 (0.43) 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 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