SCHEMBL7373273

SCHEMBL7373273

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.45
▸ F10 P00742 4/20 0.45
▸ PRSS1 P07477 1/20 0.43
▸ ITGB3 P05106 12/20 0.41
▸ ITGA2B P08514 12/20 0.41
▸ MMP2 P08253 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ MIF P14174 1/20 0.38
▸ SLC1A3 P43003 2/20 0.38
▸ SLC1A2 P43004 2/20 0.38
▸ SLC1A1 P43005 2/20 0.38
▸ ITGB2 P05107 1/20 0.37
▸ ITGAM P11215 1/20 0.37

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
SCHEMBL7213411 0.84 ITGB3 (0.59) ITGB3ITGA2B
SCHEMBL7219492 0.79 F10 (0.45) F2F10PRSS1ITGB3ITGA2B
SCHEMBL29373935 0.75 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL7375616 0.75 ITGB3 (0.59) F2F10ITGB3ITGA2BMIF
SCHEMBL9030900 0.67 F2 (0.58) F2F10PRSS1ITGB3ITGA2B
SCHEMBL20335089 0.62 NPSR1 (0.53) MMP2MMP13SLC1A3SLC1A2SLC1A1
SCHEMBL20335087 0.62 NPSR1 (0.53) MMP2MMP13SLC1A3SLC1A2SLC1A1
SCHEMBL7219528 0.62 ITGB3 (0.83) ITGB3ITGA2B
SCHEMBL4163332 0.60 LMNA (0.51) —
SCHEMBL12556241 0.59 MIF (0.74) F2F10PRSS1MIF

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6185453-B1 IONTOPHORETIC DEVICE INCLUDING SPECIFIED INTEGRIN INHIBITORS SUCH AS N3-(2-(3-(4-FORMAMIDINOPHENYL)-ISOXAZOLIN-5(R,S)-YL)-ACETYL)-N2 -(PHENYLSULFONYL)-2,3-(S)-DIAMINOPROPANOIC ACID DUPONT PHARMACEUTICALS COMPANY 2001-02-06 — — US claimed
EP-0730590-B1 ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-01-17 — — EP claimed
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 — — WO claimed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 — — WO claimed
US-20020132276-A1 FACS method for detecton of GPIIb/IIIa inhibitor dependent activators in plasma samples BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-19 — — US disclosed
US-20020081624-A1 DETECTION OF PATIENTS AT RISK FOR DEVELOPING INTEGRIN ANTAGONIST/ AGONIST MEDIATED DISEASE STATES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-27 — — US disclosed
US-6185453-B1 IONTOPHORETIC DEVICE INCLUDING SPECIFIED INTEGRIN INHIBITORS SUCH AS N3-(2-(3-(4-FORMAMIDINOPHENYL)-ISOXAZOLIN-5(R,S)-YL)-ACETYL)-N2 -(PHENYLSULFONYL)-2,3-(S)-DIAMINOPROPANOIC ACID DUPONT PHARMACEUTICALS COMPANY 2001-02-06 — — US disclosed
EP-0730590-B1 ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-01-17 — — EP disclosed
EP-0970950-A2 Novel isoxazoline and isoxazole fibrinogen receptor antagonists DuPont Pharmaceuticals Company (US) 2000-01-12 — — EP disclosed
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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