SCHEMBL7280908

SCHEMBL7280908

Cc1cn(-c2ccc(CCC(=O)O)cc2)c(=O)n1-c1ccc(C(=N)N)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.58
ITGA2B P08514 12/20 0.58
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
PRSS1 P07477 1/20 0.42
TMPRSS15 P98073 1/20 0.42
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLA2G4A P47712 2/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 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
SCHEMBL7280912 1.00 ITGB3 (0.58) ITGB3ITGA2BRXRARXRBRXRG
SCHEMBL7281961 0.88 ITGB3 (0.44) ITGB3ITGA2BPRSS1TMPRSS15F2
Hydrochloric Acid SCHEMBL7281573 0.87 ITGB3 (0.43) ITGB3ITGA2BPRSS1TMPRSS15F2
Hydrochloric Acid SCHEMBL7286391 0.86 ITGB3 (0.42) ITGB3ITGA2BPRSS1TMPRSS15F2
SCHEMBL7272876 0.86 RXRA (0.49) ITGB3ITGA2BRXRARXRBRXRG
SCHEMBL7273615 0.85 F2 (0.43) ITGB3ITGA2BRXRARXRBRXRG
SCHEMBL7275025 0.84 ITGB3 (0.56) ITGB3ITGA2BPRSS1TMPRSS15F2
SCHEMBL7274401 0.84 ITGB3 (0.55) ITGB3ITGA2BPRSS1TMPRSS15F2
SCHEMBL7282872 0.84 ITGB3 (0.55) ITGB3ITGA2BPRSS1TMPRSS15F2
SCHEMBL7281158 0.84 ITGB3 (0.55) ITGB3ITGA2BPRSS1TMPRSS15F2

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