SCHEMBL7372624

SCHEMBL7372624

Cc1cccc(S(=O)(=O)OC(=O)C(N)CNC(=O)C[C@@H]2CC(c3ccc(C(=N)N)nc3)NO2)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.32
▸ SYK P43405 1/20 0.31
▸ ITGB3 P05106 2/20 0.30
▸ ITGA2B P08514 2/20 0.30
▸ RORC P51449 1/20 0.30

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
SCHEMBL7372659 0.86 ITGB3 (0.34) F2ITGB3ITGA2B
SCHEMBL7848502 0.84 ITGB3 (0.40) F2ITGB3ITGA2B
SCHEMBL7374519 0.78 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL9093436 0.75 ITGB3 (0.47) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL9093882 0.75 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7367239 0.74 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL7374127 0.73 ITGB3 (0.38) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7790802 0.72 ITGB3 (0.45) ITGB3ITGA2B
Formic Acid SCHEMBL7373293 0.70 F2 (0.33) F2ITGB3ITGA2B
SCHEMBL7444463 0.70 ITGB3 (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 — — WO disclosed
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