SCHEMBL7283989

SCHEMBL7283989

COC(=O)C[S+]([O-])CCN1CCN(c2ccc(C(=N)N)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.41
ITGB3 P05106 9/20 0.40
ITGA2B P08514 9/20 0.40
F10 P00742 2/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39

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
SCHEMBL7283435 0.87 HDAC1 (0.43) HDAC1ITGB3ITGA2BF10F2
SCHEMBL7283268 0.81 F10 (0.45) HDAC1ITGB3ITGA2BF10F2
Hydrochloric Acid SCHEMBL7272085 0.80 HDAC1 (0.47) HDAC1ITGB3ITGA2BF10F2
Hydrochloric Acid SCHEMBL7282031 0.80 ITGB3 (0.43) HDAC1ITGB3ITGA2BF10F2
Hydrochloric Acid SCHEMBL7273070 0.78 HDAC1 (0.41) HDAC1ITGB3ITGA2BF10F2
Hydrochloric Acid SCHEMBL7274970 0.78 ITGB3 (0.46) HDAC1ITGB3ITGA2BF10F2
Acetic Acid SCHEMBL7272501 0.77 DPP4 (0.46) HDAC1ITGB3ITGA2BF10
Hydrochloric Acid SCHEMBL7272661 0.77 HDAC1 (0.46) HDAC1ITGB3ITGA2BF10F2
Hydrochloric Acid SCHEMBL7272044 0.76 F10 (0.42) HDAC1ITGB3ITGA2BF10F2
Hydrochloric Acid SCHEMBL7282858 0.76 HDAC1 (0.43) HDAC1ITGB3ITGA2BF10F2

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