SCHEMBL5334737

SCHEMBL5334737

CCOC(=O)c1c(O)c2ccc([N+](=O)[O-])cc2[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.58
KDM5B Q9UGL1 1/20 0.58
AR P10275 1/20 0.50
PARP1 P09874 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.45
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
KMT2A Q03164 1/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45

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
SCHEMBL20569277 0.91 KDM5A (0.55) KDM5AKDM5BARPARP1GAA
SCHEMBL30881339 0.91 KDM5A (0.55) KDM5AKDM5BARPARP1GAA
SCHEMBL5330015 0.82 KDM5A (0.64) KDM5AKDM5BKDM4E
SCHEMBL4647482 0.82 KDM5A (0.64) KDM5AKDM5BKDM4E
SCHEMBL8806366 0.81 PARP1 (0.58) PARP1MEN1KMT2AGRIA1GRIA2
SCHEMBL8142770 0.81 KDM5A (0.62) KDM5AKDM5B
SCHEMBL20568389 0.81 CSF1R (0.52) ARPARP1GAAMAPTKDM4E
SCHEMBL30429589 0.81 CSF1R (0.52) ARPARP1GAAMAPTKDM4E
SCHEMBL8136947 0.78 PARP1 (0.55) PARP1KDM4EGRIA1GRIA2GRIA3
SCHEMBL4701132 0.78 KDM5A (0.59) KDM5AKDM5BGAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007038571-A2 PROLYL HYDROXYLASE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 WO disclosed
EP-0760819-B1 TRICYCLIC DICARBONYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2000-07-19 EP disclosed
US-5688803-A BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-11-18 US disclosed
EP-0760819-A1 TRICYCLIC DICARBONYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 EP disclosed
WO-1995032205-A1 TRICYCLIC DICARBONYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1995-11-30 WO disclosed