SCHEMBL7969121

SCHEMBL7969121

O=C(NC(CNC(=O)c1cccc2c(CCCNC3NC=CCN3)n[nH]c12)C(=O)O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.44
ITGAV P06756 16/20 0.44
ITGA2B P08514 11/20 0.40
EGLN2 Q96KS0 1/20 0.37
EGLN1 Q9GZT9 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
SCHEMBL7982799 0.90 ITGB3 (0.48) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL7980556 0.86 ITGB3 (0.42) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL7980575 0.84 ITGB3 (0.39) ITGB3ITGAVITGA2B
SCHEMBL7969114 0.84 ITGB3 (0.46) ITGB3ITGAVITGA2B
SCHEMBL7985895 0.82 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7349050 0.80 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL7982789 0.80 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL7982795 0.80 ITGB3 (0.41) ITGB3ITGAVITGA2B
SCHEMBL7982197 0.79 ITGB3 (0.56) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL7982415 0.78 ITGB3 (0.42) 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