SCHEMBL7275589

SCHEMBL7275589

N=C(N)c1ccc(-c2ccc(-c3cn(CCC(=O)O)c(=S)[nH]3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.44
ITGB3 P05106 9/20 0.43
ITGA2B P08514 9/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
WDR5 P61964 1/20 0.39
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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 SCHEMBL7279581 0.85 NQO2 (0.44) NQO2ITGB3ITGA2BWDR5
Hydrochloric Acid SCHEMBL8571814 0.85 MEN1 (0.40) NQO2ITGB3ITGA2BKDM4EKMT2A
SCHEMBL7281007 0.76 ITGB3 (0.56) NQO2ITGB3ITGA2BKMT2AMEN1
SCHEMBL7272581 0.76 ITGB3 (0.56) NQO2ITGB3ITGA2BKMT2AMEN1
SCHEMBL7283407 0.76 NQO2 (0.49) NQO2ITGB3ITGA2BWDR5
Hydrochloric Acid SCHEMBL7282822 0.73 NQO2 (0.41) NQO2ITGB3ITGA2BKDM4EGAA
SCHEMBL7273414 0.72 NQO2 (0.45) NQO2ITGB3ITGA2BKMT2AMEN1
Hydrochloric Acid SCHEMBL7283396 0.71 NQO2 (0.49) NQO2ITGB3ITGA2BWDR5
SCHEMBL7273726 0.69 ITGB3 (0.46) NQO2ITGB3ITGA2BWDR5
SCHEMBL7395534 0.68 NQO2 (0.46) NQO2ITGB3ITGA2BKMT2AMEN1

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 5 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
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP disclosed