SCHEMBL9093633

SCHEMBL9093633

Cc1ccc(S(=O)(=O)[C@@](N)(CNC(=O)C[C@H]2C[C@H](Cc3ccc(C(=N)N)cc3)NO2)C(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.37
▸ ITGA2B P08514 6/20 0.37
▸ F2 P00734 10/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ TMPRSS6 Q8IU80 3/20 0.35
▸ PLAU P00749 3/20 0.34
▸ HPN P05981 3/20 0.34
▸ ITGB2 P05107 1/20 0.33
▸ ITGAM P11215 1/20 0.33

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
SCHEMBL9233938 0.84 HPN (0.35) ITGB3ITGA2BF2TMPRSS6PLAU
SCHEMBL9093391 0.80 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL9093620 0.79 F2 (0.37) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL9091922 0.79 ITGB3 (0.34) ITGB3ITGA2BTMPRSS6ITGB2ITGAM
SCHEMBL9093422 0.78 ITGB3 (0.34) ITGB3ITGA2B
SCHEMBL9093470 0.78 HPN (0.33) PLAUHPN
SCHEMBL9093355 0.77 MEN1 (0.33) F2PRSS1
SCHEMBL9095129 0.77 ITGB3 (0.35) ITGB3ITGA2BF2ITGB2ITGAM
SCHEMBL7790872 0.73 ITGB3 (0.45) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7790913 0.73 ITGB3 (0.45) ITGB3ITGA2BITGB2ITGAM

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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