SCHEMBL7282199

SCHEMBL7282199

COC(=O)CCc1ccc(-c2[nH]c(=O)n(-c3ccc(C#N)cc3)c2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
KDM4E B2RXH2 3/20 0.40
USP14 P54578 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
AR P10275 1/20 0.39
MAPT P10636 5/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
HTT P42858 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 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
SCHEMBL7282967 1.00 CYP11B1 (0.44) CYP11B1CYP11B2KDM4EUSP14MEN1
Hydrochloric Acid SCHEMBL7281759 0.82 ITGB3 (0.41) MAPTHRH3
Hydrochloric Acid SCHEMBL7283833 0.82 ITGB3 (0.41) MAPTHRH3
SCHEMBL7275677 0.80 CYP11B1 (0.44) CYP11B1CYP11B2KDM4EUSP14MEN1
SCHEMBL7282714 0.80 CYP11B1 (0.44) CYP11B1CYP11B2KDM4EUSP14MEN1
SCHEMBL7385642 0.79 PDE3B (0.39) KDM4ETDP1HRH3ALDH1A1
SCHEMBL7281781 0.78 CYP11B1 (0.44) CYP11B1CYP11B2KDM4EMEN1KMT2A
SCHEMBL7283880 0.78 CYP11B1 (0.44) CYP11B1CYP11B2KDM4EMEN1KMT2A
SCHEMBL3628694 0.78 CYP11B1 (0.56) CYP11B1CYP11B2MEN1KMT2AMAPT
SCHEMBL7281800 0.78 CYP11B1 (0.42) CYP11B1CYP11B2KDM4EUSP14MEN1

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