SCHEMBL7272941

SCHEMBL7272941

N=C(N)c1ccc(-n2nc(-c3ccccc3)n(-c3ccc(CCC(=O)O)cc3)c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.54
ITGA2B P08514 7/20 0.54
FFAR1 O14842 2/20 0.42
PRSS1 P07477 1/20 0.42
TMPRSS15 P98073 1/20 0.42
F2 P00734 2/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
F10 P00742 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL7281959 0.89 TSHR (0.43) ITGB3ITGA2BPRSS1F2F10
Hydrochloric Acid SCHEMBL7390880 0.88 TSHR (0.42) ITGB3ITGA2BPRSS1F2F10
SCHEMBL7274111 0.86 ITGB3 (0.55) ITGB3ITGA2BFFAR1PRSS1TMPRSS15
SCHEMBL7276120 0.86 ITGB3 (0.55) ITGB3ITGA2BFFAR1PRSS1TMPRSS15
SCHEMBL7273965 0.86 ITGB3 (0.57) ITGB3ITGA2BPRSS1TMPRSS15F2
SCHEMBL7282152 0.86 ITGB3 (0.57) ITGB3ITGA2BPRSS1TMPRSS15F2
Hydrochloric Acid SCHEMBL7393040 0.86 F2 (0.41) ITGB3ITGA2BPRSS1TMPRSS15F2
SCHEMBL7280759 0.82 ITGB3 (0.55) ITGB3ITGA2BPRSS1TMPRSS15F2
SCHEMBL7272698 0.81 ITGB3 (0.54) ITGB3ITGA2BPRSS1TMPRSS15F2
SCHEMBL7275025 0.79 ITGB3 (0.56) ITGB3ITGA2BFFAR1PRSS1TMPRSS15

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP claimed
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
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-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 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-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP 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