SCHEMBL7969092

SCHEMBL7969092

Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)c2ccc3c(CCCNC4=NCCN4)nn(C)c3c2)C(=O)O)c(C)c1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.69
ITGB3 P05106 18/20 0.69
ITGA2B P08514 10/20 0.69

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
SCHEMBL7969280 0.95 ITGAV (0.61) ITGAVITGB3ITGA2B
SCHEMBL7969143 0.90 ITGAV (0.56) ITGAVITGB3ITGA2B
SCHEMBL7985851 0.88 ITGB3 (0.53) ITGAVITGB3ITGA2B
SCHEMBL7969222 0.86 ITGAV (0.59) ITGAVITGB3ITGA2B
SCHEMBL7980623 0.86 ITGB3 (0.69) ITGAVITGB3ITGA2B
SCHEMBL7969099 0.85 ITGAV (0.50) ITGAVITGB3ITGA2B
SCHEMBL7979100 0.85 ITGAV (0.68) ITGAVITGB3ITGA2B
SCHEMBL7985901 0.82 ITGAV (0.47) ITGAVITGB3ITGA2B
SCHEMBL7982824 0.82 ITGB3 (1.00) ITGAVITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7979079 0.82 ITGAV (0.64) ITGAVITGB3ITGA2B

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 3 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
US-5760028-A TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-02 US disclosed