SCHEMBL7282182

SCHEMBL7282182

COC(=O)CCN1CCN(c2ccc(-c3ccc(C#N)cc3)cc2NS(C)(=O)=O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.37
WDR5 P61964 1/20 0.37
BRD4 O60885 4/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
FASN P49327 1/20 0.35
PGR P06401 1/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
PAX8 Q06710 3/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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 0.87 WDR5 (0.41) WDR5BRD4NPC1MAPTMAPK1
SCHEMBL7272089 0.87 F10 (0.38) WDR5NPC1MAPTMAPK1RAB9A
SCHEMBL7281215 0.85 MAPT (0.38) WDR5BRD4NPC1MAPTMAPK1
SCHEMBL7275584 0.85 MAPT (0.38) WDR5NPC1MAPTMAPK1RAB9A
Hydrochloric Acid SCHEMBL7282377 0.84 REN (0.36) WDR5BRD4GRIN1GRIN2BREN
SCHEMBL7280568 0.84 PAX8 (0.38) ACLYWDR5NPC1MAPTMAPK1
SCHEMBL7275464 0.83 WDR5 (0.42) WDR5MAPTMAPK1POLB
SCHEMBL7272997 0.83 EGLN1 (0.37) WDR5NPC1MAPTMAPK1RAB9A
SCHEMBL7273180 0.81 MAPT (0.47) WDR5NPC1MAPTMAPK1RAB9A
SCHEMBL7281015 0.81 S1PR1 (0.43) MAPTKDM4EPOLBKDM1AMAOB

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