SCHEMBL7283268

SCHEMBL7283268

COC(=O)C[S+]([O-])c1ccc(N2CCN(c3ccc(C(=N)N)cc3)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.45
F2 P00734 2/20 0.45
PRSS1 P07477 2/20 0.45
ITGB3 P05106 13/20 0.40
ITGA2B P08514 13/20 0.40
HDAC1 Q13547 2/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TMPRSS6 Q8IU80 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
F9 P00740 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
SCHEMBL7283180 0.86 F10 (0.48) F10F2PRSS1ITGB3ITGA2B
SCHEMBL8988669 0.81 ITGB3 (0.34) F10F2PRSS1ITGB3ITGA2B
SCHEMBL7283989 0.81 HDAC1 (0.41) F10F2PRSS1ITGB3ITGA2B
SCHEMBL7283570 0.79 F10 (0.46) F10F2PRSS1ITGB3ITGA2B
SCHEMBL7276111 0.78 F10 (0.47) F10F2PRSS1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7273123 0.78 F10 (0.46) F10F2PRSS1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7274073 0.77 ITGB3 (0.55) F10F2PRSS1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7272547 0.77 ITGB3 (0.53) F10F2PRSS1ITGB3ITGA2B
SCHEMBL7282206 0.77 F10 (0.47) F10F2PRSS1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7272762 0.76 F10 (0.46) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP disclosed