SCHEMBL7273180

SCHEMBL7273180

COC(=O)CCN1CCN(c2ccc(-c3ccc(C#N)cc3)cc2[N+](=O)[O-])C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
MAPK1 P28482 4/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 5/20 0.41
ABCB1 P08183 1/20 0.41
GAA P10253 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
PAX8 Q06710 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
EGLN1 Q9GZT9 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
SCHEMBL7275584 0.86 MAPT (0.38) MAPTMAPK1NPC1RAB9AALDH1A1
SCHEMBL7281215 0.86 MAPT (0.38) MAPTMAPK1NPC1RAB9AKDM4E
SCHEMBL7280568 0.85 PAX8 (0.38) MAPTMAPK1NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL7273545 0.84 MAPT (0.41) MAPTMAPK1NPC1RAB9AALDH1A1
SCHEMBL7272997 0.83 EGLN1 (0.37) MAPTMAPK1NPC1RAB9AKDM4E
SCHEMBL7272089 0.83 F10 (0.38) MAPTMAPK1NPC1RAB9AKDM4E
SCHEMBL7275630 0.83 WDR5 (0.41) MAPTMAPK1NPC1RAB9AKDM4E
SCHEMBL7281015 0.81 S1PR1 (0.43) MAPTKDM4EEGLN1POLB
SCHEMBL7282182 0.81 ACLY (0.37) MAPTMAPK1NPC1RAB9AKDM4E
SCHEMBL7284325 0.79 HTT (0.35) MAPTMAPK1NPC1RAB9AKDM4E

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