SCHEMBL7015082

SCHEMBL7015082

COc1ncc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c2cc(C(C)=O)oc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.41
GAA P10253 3/20 0.40
PIK3CD O00329 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
TDP2 O95551 1/20 0.38
MAOB P27338 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7011671 0.85 PDE4A (0.52) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7015228 0.84 PDE4A (0.51) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7016905 0.83 MAPT (0.43) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7015963 0.81 PDE4A (0.55) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7016046 0.81 PDE4A (0.54) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7013236 0.79 PDE4A (0.55) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7009876 0.78 PDE4A (0.46) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7409586 0.77 PIK3CD (0.39) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7010243 0.75 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL7055317 0.74 MAPT (0.43) MAPTALDH1A1KDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086106-B1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LTD (GB) 2003-08-20 EP disclosed
EP-1086106-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE Darwin Discovery Limited (GB) 2001-03-28 EP disclosed
US-6169090-B1 FOR INHIBITION OF PHOSPHODIESTERASE IV DARWIN DISCOVERY, LTD. (GB) 2001-01-02 US disclosed
WO-1999064423-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LIMITED (GB) 1999-12-16 WO disclosed