SCHEMBL7979138

SCHEMBL7979138

Cn1nc(CCCNC2N=CCCN2)c2cccc(C(=O)NCC(NS(=O)(=O)c3c(Cl)cccc3Cl)C(=O)O)c21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 16/20 0.42
ITGB3 P05106 12/20 0.38
ITGA2B P08514 11/20 0.38
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
ITGB6 P18564 1/20 0.31

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
SCHEMBL7982304 0.93 ITGAV (0.40) ITGAVITGB3ITGA2B
SCHEMBL7982753 0.91 ITGAV (0.45) ITGAVITGB3ITGA2B
SCHEMBL7985747 0.90 ITGB3 (0.37) ITGAVITGB3ITGA2B
SCHEMBL7980561 0.89 ITGAV (0.45) ITGAVITGB3ITGA2BLMNAPKM
SCHEMBL7969299 0.87 ITGAV (0.44) ITGAVITGB3ITGA2B
SCHEMBL7979143 0.84 ITGAV (0.42) ITGAVITGB3ITGA2BLMNAPKM
SCHEMBL7980547 0.82 ITGAV (0.47) ITGAVITGB3ITGA2B
SCHEMBL7980578 0.81 ITGAV (0.42) ITGAVITGB3ITGA2B
SCHEMBL7980684 0.81 ITGAV (0.53) ITGAVITGB3ITGA2B
SCHEMBL7969386 0.80 ITGB3 (0.58) 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