SCHEMBL7274886

SCHEMBL7274886

Cc1c(-c2ccc(-c3ccc(C(=N)N)cc3)cc2)n(C)c(=O)n1CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.44
ITGA2B P08514 11/20 0.44
NQO2 P16083 5/20 0.43
WDR5 P61964 1/20 0.39
ALDH1A1 P00352 1/20 0.36

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
Hydrochloric Acid SCHEMBL7281919 0.86 TP53 (0.39) ITGB3ITGA2BNQO2
SCHEMBL7275218 0.85 NQO2 (0.42) ITGB3ITGA2BNQO2WDR5ALDH1A1
SCHEMBL7282771 0.78 ITGB3 (0.55) ITGB3ITGA2BNQO2
SCHEMBL7275237 0.78 ITGB3 (0.55) ITGB3ITGA2BNQO2
SCHEMBL7285201 0.77 ITGB3 (0.42) ITGB3ITGA2BNQO2WDR5ALDH1A1
SCHEMBL7275069 0.75 ROCK2 (0.45) ITGB3ITGA2BNQO2
SCHEMBL7393228 0.75 NQO2 (0.39) NQO2WDR5ALDH1A1
Hydrochloric Acid SCHEMBL7274818 0.74 NQO2 (0.38) NQO2WDR5ALDH1A1
Hydrochloric Acid SCHEMBL7283396 0.73 NQO2 (0.49) ITGB3ITGA2BNQO2WDR5
SCHEMBL7273726 0.72 ITGB3 (0.46) ITGB3ITGA2BNQO2WDR5

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