SCHEMBL7980795

SCHEMBL7980795

O=C(NCC(NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O)c1cccc2c1cnn2CCCNC1=NCCN1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.67
ITGB3 P05106 19/20 0.67
ITGA2B P08514 13/20 0.60

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
SCHEMBL7986095 0.92 ITGB3 (0.67) ITGAVITGB3ITGA2B
SCHEMBL7982086 0.91 ITGB3 (0.72) ITGAVITGB3ITGA2B
SCHEMBL7979373 0.90 ITGAV (0.75) ITGAVITGB3ITGA2B
SCHEMBL7979137 0.89 ITGB3 (0.69) ITGAVITGB3ITGA2B
SCHEMBL7982879 0.89 ITGB3 (0.67) ITGAVITGB3ITGA2B
SCHEMBL7983023 0.88 ITGB3 (0.63) ITGAVITGB3ITGA2B
SCHEMBL7982259 0.86 ITGB3 (0.80) ITGAVITGB3ITGA2B
SCHEMBL7980498 0.85 ITGB3 (0.81) ITGAVITGB3ITGA2B
SCHEMBL7349313 0.85 ITGAV (0.62) ITGAVITGB3ITGA2B
SCHEMBL7980803 0.85 ITGAV (0.57) 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 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