SCHEMBL2298170

SCHEMBL2298170

CCOC(=O)c1c(-c2ccc(Oc3ccc(F)cc3)cc2)oc2cc([N+](=O)[O-])c(C3CC3)cc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.50
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 1/20 0.43
RCE1 Q9Y256 1/20 0.43
ALOX5 P09917 1/20 0.42
PRNP P04156 1/20 0.42

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
SCHEMBL2297373 0.96 ALOX5 (0.46) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL12940204 0.88 PTGS2 (0.55) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2299840 0.87 MEN1 (0.56) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2298149 0.87 ALOX5 (0.57) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6119177 0.86 ALOX5 (0.46) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6118842 0.86 ALOX5 (0.43) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2297048 0.86 PTGS2 (0.53) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2300529 0.86 CYP2C9 (0.43) MEN1KMT2AL3MBTL1GAARCE1
SCHEMBL4790812 0.85 PTGS2 (0.52) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL3391480 0.84 PTGS2 (0.51) PTGS2MEN1KMT2AKDM4EALDH1A1

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-2012067663-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 WO disclosed
WO-2011103063-A1 THERAPEUTIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-08-25 WO disclosed