SCHEMBL7274756

SCHEMBL7274756

COC(=O)CCc1ccc(-n2cc(-c3ccc(C#N)cc3)n(-c3ccccc3)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.43
KDM4E B2RXH2 11/20 0.43
TDP1 Q9NUW8 5/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABCB1 P08183 1/20 0.40
HPGD P15428 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
POLB P06746 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL7272706 1.00 MAPT (0.43) MAPTKDM4ETDP1CYP11B1CYP11B2
SCHEMBL7275031 0.89 CYP11B1 (0.42) MAPTKDM4ETDP1CYP11B1CYP11B2
SCHEMBL7272767 0.89 CYP11B1 (0.42) MAPTKDM4ETDP1CYP11B1CYP11B2
SCHEMBL7274155 0.87 CYP11B1 (0.46) MAPTKDM4ETDP1CYP11B1CYP11B2
SCHEMBL7275057 0.87 CYP11B1 (0.46) MAPTKDM4ETDP1CYP11B1CYP11B2
SCHEMBL7275527 0.85 CYP11B1 (0.46) MAPTKDM4ETDP1CYP11B1CYP11B2
SCHEMBL7281878 0.85 CYP11B1 (0.46) MAPTKDM4ETDP1CYP11B1CYP11B2
SCHEMBL8575548 0.85 CYP11B1 (0.46) MAPTKDM4ETDP1CYP11B1CYP11B2
SCHEMBL7392750 0.83 ITGB3 (0.43) MAPTKDM4EKMT2AALDH1A1
SCHEMBL7392314 0.83 ITGB3 (0.43) MAPTKDM4EKMT2AALDH1A1

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