Sugi Predict

Sugi Predict / Compounds / SCHEMBL7979200

SCHEMBL7979200

SCHEMBL7979200

Cc1noc(C)c1S(=O)(=O)NC(CNC(=O)c1cccc2c(CCCNC3NCCN3)n[nH]c12)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 18/20 0.44
▸ ITGA2B P08514 17/20 0.44
▸ ITGAV P06756 10/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7982415 0.91 ITGB3 (0.42) ITGB3ITGA2BITGAVSMN1; SMN2
SCHEMBL7982411 0.90 ITGB3 (0.42) ITGB3ITGA2BITGAVSMN1; SMN2
SCHEMBL7985893 0.87 ITGAV (0.44) ITGB3ITGA2BITGAV
SCHEMBL7980535 0.86 ITGB3 (0.43) ITGB3ITGA2BITGAV
SCHEMBL7979190 0.86 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL7969349 0.85 ITGB3 (0.43) ITGB3ITGA2BITGAVSMN1; SMN2
SCHEMBL7985983 0.84 ITGB3 (0.46) ITGB3ITGA2BITGAVSMN1; SMN2
SCHEMBL7982741 0.84 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL7983031 0.82 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL7982795 0.78 ITGB3 (0.41) 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