SCHEMBL6858664

SCHEMBL6858664

N=C1NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 5/20 0.74
GSK3B P49841 5/20 0.74
BRAF P15056 2/20 0.62
MAPT P10636 7/20 0.56
MCL1 Q07820 2/20 0.56
LMNA P02545 2/20 0.56
RECQL P46063 1/20 0.56
DUSP3 P51452 1/20 0.56
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
ABCB11 O95342 1/20 0.49
ADORA1 P30542 1/20 0.49
CISD1 Q9NZ45 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALPL P05186 1/20 0.49

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
SCHEMBL5163906 0.79 BRAF (0.81) GSK3AGSK3BBRAFMAPTMCL1
SCHEMBL3897840 0.75 DUSP3 (0.73) GSK3AGSK3BBRAFDUSP3MEN1
SCHEMBL3897845 0.75 DUSP3 (0.73) GSK3AGSK3BBRAFDUSP3MEN1
SCHEMBL4072823 0.74 MAPT (0.68) GSK3AGSK3BBRAFMAPTLMNA
SCHEMBL1228305 0.74 BRAF (0.60) GSK3AGSK3BBRAFMAPTLMNA
SCHEMBL1228309 0.74 BRAF (0.60) GSK3AGSK3BBRAFMAPTLMNA
SCHEMBL5145115 0.73 BRAF (0.68) GSK3AGSK3BBRAFMAPTMCL1
SCHEMBL5145120 0.73 BRAF (0.68) GSK3AGSK3BBRAFMAPTMCL1
SCHEMBL1116150 0.72 MAPT (0.69) GSK3AGSK3BBRAFMAPTLMNA
SCHEMBL5145368 0.72 BRAF (0.82) GSK3AGSK3BBRAFMAPTMCL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011015646-A2 FURAN-IMIDAZOLONE DERIVATIVES, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA, S.A. (ES) 2011-02-10 WO disclosed
EP-2281824-A1 Furan-imidazolone derivatives, for the treatment of cognitive, neurodegenerative or neuronal diseases or disorders NOSCIRA, S.A. (ES) 2011-02-09 EP disclosed