SCHEMBL7274401

SCHEMBL7274401

N=C(N)c1ccc(-c2cn(-c3ccc(CCC(=O)O)cc3)c(=O)n2-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.55
ITGA2B P08514 6/20 0.55
PRSS1 P07477 1/20 0.45
TMPRSS15 P98073 1/20 0.45
NQO2 P16083 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FFAR1 O14842 2/20 0.43
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLA2G4A P47712 2/20 0.40
SRD5A2 P31213 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7282872 1.00 ITGB3 (0.55) ITGB3ITGA2BPRSS1TMPRSS15NQO2
Hydrochloric Acid SCHEMBL8575643 0.99 ITGB3 (0.54) ITGB3ITGA2BPRSS1TMPRSS15NQO2
SCHEMBL7275025 0.97 ITGB3 (0.56) ITGB3ITGA2BPRSS1TMPRSS15NQO2
SCHEMBL7392750 0.89 ITGB3 (0.43) ITGB3ITGA2BPRSS1TMPRSS15NQO2
SCHEMBL7392314 0.89 ITGB3 (0.43) ITGB3ITGA2BPRSS1TMPRSS15NQO2
SCHEMBL7281852 0.88 ITGB3 (0.54) ITGB3ITGA2BPRSS1TMPRSS15NQO2
SCHEMBL7272952 0.88 ITGB3 (0.54) ITGB3ITGA2BPRSS1TMPRSS15NQO2
Hydrochloric Acid SCHEMBL7272596 0.88 ITGB3 (0.42) ITGB3ITGA2BPRSS1TMPRSS15NQO2
Hydrochloric Acid SCHEMBL7275559 0.88 ITGB3 (0.42) ITGB3ITGA2BPRSS1TMPRSS15NQO2
SCHEMBL7395365 0.86 ITGB3 (0.43) ITGB3ITGA2BPRSS1TMPRSS15NQO2

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