SCHEMBL7219492

SCHEMBL7219492

Cc1cccc(S(=O)(=O)NC(CN)(C(=O)O)C(=O)CC2CC(c3ccc(NC(=N)N)cc3)=NO2)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 6/20 0.45
▸ F2 P00734 5/20 0.45
▸ PRSS1 P07477 2/20 0.43
▸ ITGB3 P05106 13/20 0.39
▸ ITGA2B P08514 13/20 0.39
▸ ITGB2 P05107 2/20 0.38
▸ ITGAM P11215 2/20 0.38
▸ MIF P14174 1/20 0.38

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
SCHEMBL7373273 0.79 F2 (0.45) F10F2PRSS1ITGB3ITGA2B
SCHEMBL7213411 0.79 ITGB3 (0.59) ITGB3ITGA2B
SCHEMBL7213270 0.75 ITGB3 (0.53) F10F2ITGB3ITGA2BMIF
SCHEMBL29373935 0.69 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL9030900 0.67 F2 (0.58) F10F2PRSS1ITGB3ITGA2B
SCHEMBL7371172 0.61 MIF (0.62) F10F2ITGB3ITGA2BMIF
SCHEMBL7219528 0.61 ITGB3 (0.83) ITGB3ITGA2B
SCHEMBL12556241 0.59 MIF (0.74) F10F2PRSS1MIF
SCHEMBL4158733 0.59 KIF18A (0.49) —
SCHEMBL7373045 0.58 MIF (0.72) F10F2PRSS1ITGB3ITGA2B

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 8 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
US-6623981-B2 Detecting antibodies which bind integrin bound modulators; obtain sample, incubate with modulators and antibodies, form complexes, screen for bound complex BRISTOL-MYERS SQUIBB COMPANY 2003-09-23 — — US disclosed
EP-1244911-A1 AN IN VITRO PHAGOCYTOSIS METHOD TO PREDICT THE IN VIVO POTENTIAL OF INTEGRIN ANTAGONISTS/AGONISTS TO INDUCE THROMBOCYTOPENIA Bristol-Myers Squibb Pharma Company (US) 2002-10-02 — — EP disclosed
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
WO-2001027617-A1 AN IN VITRO PHAGOCYTOSIS METHOD TO PREDICT THE IN VIVO POTENTIAL OF INTEGRIN ANTAGONISTS/AGONISTS TO INDUCE THROMBOCYTOPENIA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-04-19 — — WO 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-0970950-A2 Novel isoxazoline and isoxazole fibrinogen receptor antagonists DuPont Pharmaceuticals Company (US) 2000-01-12 — — EP disclosed
Send feedback