SCHEMBL9093368

SCHEMBL9093368

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

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 20/20 0.36
▸ TMPRSS6 Q8IU80 8/20 0.36
▸ PRSS1 P07477 3/20 0.34
▸ PRSS2 P07478 3/20 0.34
▸ PRSS3 P35030 3/20 0.34

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
SCHEMBL9093620 0.79 F2 (0.37) F2TMPRSS6PRSS1PRSS2PRSS3
SCHEMBL9095129 0.78 ITGB3 (0.35) F2
SCHEMBL9093657 0.75 F2 (0.42) F2PRSS1PRSS2PRSS3
SCHEMBL9093651 0.75 ITGB3 (0.39) —
SCHEMBL9093809 0.74 ITGB3 (0.36) F2
Trifluoroacetic Acid SCHEMBL9093493 0.74 ITGB3 (0.35) F2TMPRSS6
SCHEMBL9093514 0.73 ITGB3 (0.42) —
SCHEMBL9091922 0.73 ITGB3 (0.34) TMPRSS6
SCHEMBL7848502 0.73 ITGB3 (0.40) F2
SCHEMBL7847593 0.72 ITGB3 (0.44) —

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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