SCHEMBL7274193

SCHEMBL7274193

N=C(N)c1ccc(-c2ccc(N3CCN(CCC(=O)O)C3=O)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.41
ITGA2B P08514 13/20 0.41
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
S1PR1 P21453 1/20 0.36
CTPS1 P17812 1/20 0.36
POLB P06746 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 SCHEMBL7273545 0.88 MAPT (0.41) ITGB3ITGA2BALDH1A1GAAPKM
SCHEMBL7281133 0.86 ITGB3 (0.45) ITGB3ITGA2BS1PR1
SCHEMBL7280879 0.85 ITGB3 (0.44) ITGB3ITGA2BS1PR1
SCHEMBL7284822 0.82 ITGB3 (0.42) ITGB3ITGA2BS1PR1
SCHEMBL7272618 0.82 ITGB3 (0.44) ITGB3ITGA2BS1PR1
SCHEMBL7279862 0.82 ITGB3 (0.46) ITGB3ITGA2BALDH1A1S1PR1
SCHEMBL7284720 0.81 ITGB3 (0.43) ITGB3ITGA2BS1PR1
SCHEMBL7280721 0.80 S1PR1 (0.54) ITGB3ITGA2BS1PR1
SCHEMBL7276691 0.80 ITGB3 (0.42) ITGB3ITGA2BS1PR1
SCHEMBL7281601 0.79 ITGB3 (0.41) ITGB3ITGA2BS1PR1

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