SCHEMBL7280759

SCHEMBL7280759

CCc1nn(-c2ccc(C(=N)N)cc2)c(=O)n1-c1ccc(CCC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.55
ITGA2B P08514 10/20 0.55
PRSS1 P07477 1/20 0.40
TMPRSS15 P98073 1/20 0.40
PPARD Q03181 5/20 0.40
PPARA Q07869 5/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
NQO2 P16083 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
SCHEMBL7282066 0.89 ITGB3 (0.42) ITGB3ITGA2BPRSS1PPARDPPARA
Hydrochloric Acid SCHEMBL7281613 0.88 ITGB3 (0.41) ITGB3ITGA2BPRSS1PPARDPPARA
SCHEMBL7273965 0.87 ITGB3 (0.57) ITGB3ITGA2BPRSS1TMPRSS15PPARD
SCHEMBL7282152 0.87 ITGB3 (0.57) ITGB3ITGA2BPRSS1TMPRSS15PPARD
SCHEMBL7283873 0.86 F2 (0.41) ITGB3ITGA2BPRSS1PPARDPPARA
SCHEMBL7272698 0.82 ITGB3 (0.54) ITGB3ITGA2BPRSS1TMPRSS15PPARD
SCHEMBL7272941 0.82 ITGB3 (0.54) ITGB3ITGA2BPRSS1TMPRSS15PPARD
SCHEMBL7274111 0.79 ITGB3 (0.55) ITGB3ITGA2BPRSS1TMPRSS15PPARD
SCHEMBL7276120 0.79 ITGB3 (0.55) ITGB3ITGA2BPRSS1TMPRSS15PPARD
Hydrochloric Acid SCHEMBL7387376 0.77 F2 (0.46) ITGB3ITGA2BPRSS1F2F10

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
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP claimed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP claimed
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