SCHEMBL7213411

SCHEMBL7213411

Cc1cccc(S(=O)(=O)NC(CNC(=O)C[C@H]2CC(c3ccc(NC(=N)N)cc3)=NO2)C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.59
▸ ITGA2B P08514 20/20 0.59

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
SCHEMBL29373935 0.91 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL7373273 0.84 F2 (0.45) ITGB3ITGA2B
SCHEMBL7219492 0.79 F10 (0.45) ITGB3ITGA2B
SCHEMBL7219528 0.75 ITGB3 (0.83) ITGB3ITGA2B
SCHEMBL7219511 0.75 ITGB3 (0.83) ITGB3ITGA2B
SCHEMBL7748060 0.75 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL9234147 0.71 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL7848502 0.71 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL7847593 0.70 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7090791 0.68 ITGB3 (0.89) ITGB3ITGA2B

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
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 — — EP claimed
US-6623981-B2 Detecting antibodies which bind integrin bound modulators; obtain sample, incubate with modulators and antibodies, form complexes, screen for bound complex BRISTOL-MYERS SQUIBB COMPANY 2003-09-23 — — US disclosed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 — — EP disclosed
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