SCHEMBL7272997

SCHEMBL7272997

COC(=O)CCN1CCN(c2ccc(-c3ccc(C#N)cc3)cc2SC)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.37
PAX8 Q06710 1/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
DRD2 P14416 3/20 0.35
REN P00797 1/20 0.35
CYP3A4 P08684 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
HTR1A P08908 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
WDR5 P61964 1/20 0.35
MMP2 P08253 2/20 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
SCHEMBL7275676 0.89 MMP2 (0.40) PAX8KDM4EPOLBKDM1AMAOB
SCHEMBL7281215 0.87 MAPT (0.38) EGLN1PAX8MAPTNPC1MAPK1
SCHEMBL7275584 0.87 MAPT (0.38) EGLN1PAX8MAPTNPC1MAPK1
SCHEMBL7280568 0.87 PAX8 (0.38) EGLN1PAX8MAPTNPC1MAPK1
SCHEMBL7274019 0.84 REN (0.38) RENCYP3A4
SCHEMBL7272089 0.84 F10 (0.38) EGLN1PAX8MAPTNPC1MAPK1
SCHEMBL7275630 0.84 WDR5 (0.41) EGLN1PAX8MAPTNPC1MAPK1
Hydrochloric Acid SCHEMBL7273115 0.83 REN (0.38) RENCYP3A4
SCHEMBL7273180 0.83 MAPT (0.47) EGLN1PAX8MAPTNPC1MAPK1
SCHEMBL7281015 0.83 S1PR1 (0.43) EGLN1MAPTKDM4EPOLBKDM1A

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