SCHEMBL9092432

SCHEMBL9092432

Cc1ccccc1S(=O)(=O)N[C@@H](CNC(=O)C[C@H]1C[C@@H](c2ccc(C(=N)N)cc2)NO1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGAV P06756 3/20 0.50
▸ ITGB3 P05106 17/20 0.48
▸ ITGA2B P08514 17/20 0.48
▸ ITGA2 P17301 1/20 0.47

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
SCHEMBL9094839 0.91 ITGAV (0.49) ITGAVITGB3ITGA2B
SCHEMBL7375637 0.85 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7442644 0.85 ITGB3 (0.68) ITGAVITGB3ITGA2B
SCHEMBL7447180 0.85 ITGB3 (0.68) ITGAVITGB3ITGA2B
SCHEMBL7449964 0.85 ITGB3 (0.68) ITGAVITGB3ITGA2B
Hydrochloric Acid SCHEMBL7450135 0.84 ITGB3 (0.68) ITGAVITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7793879 0.81 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL7444463 0.81 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7438736 0.79 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL7374417 0.78 ITGB3 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 — — WO disclosed
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