SCHEMBL7275464

SCHEMBL7275464

COC(=O)CCN1CCN(c2ccc(-c3ccc(C#N)cc3)cc2NC(=O)c2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 3/20 0.42
MMP1 P03956 1/20 0.42
HDAC2 Q92769 3/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.40
GPR6 P46095 1/20 0.40
HDAC1 Q13547 3/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
HDAC3 O15379 1/20 0.39
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
EGLN2 Q96KS0 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
SCHEMBL7275630 0.89 WDR5 (0.41) WDR5HDAC2MAPK1POLBMAPT
Hydrochloric Acid SCHEMBL7283390 0.86 HDAC2 (0.42) WDR5HDAC2MAPK1POLBMAPT
SCHEMBL7282182 0.83 ACLY (0.37) WDR5MAPK1POLBMAPT
SCHEMBL7275584 0.83 MAPT (0.38) WDR5MMP1HDAC2MAPK1POLB
SCHEMBL7281215 0.83 MAPT (0.38) WDR5MAPK1POLBMAPT
SCHEMBL7280568 0.82 PAX8 (0.38) WDR5MAPK1POLBMAPTALDH1A1
SCHEMBL7272997 0.81 EGLN1 (0.37) WDR5MMP1MAPK1POLBMAPT
SCHEMBL7272089 0.80 F10 (0.38) WDR5MAPK1POLBMAPT
SCHEMBL7273180 0.79 MAPT (0.47) WDR5MAPK1POLBMAPTKMT2A
SCHEMBL7281015 0.79 S1PR1 (0.43) POLBMAPTHDAC1

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