SCHEMBL7409586

SCHEMBL7409586

COCC1(c2cc3c(C(=O)Oc4ccc([N+](=O)[O-])cc4)cnc(OC)c3o2)CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
MAPT P10636 9/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
GAA P10253 2/20 0.33
FAAH O00519 1/20 0.33
BCL9 O00512 1/20 0.33
CTNNB1 P35222 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7408555 0.81 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL7009876 0.79 PDE4A (0.46) PIK3CDMAPTALDH1A1KDM4EHPGD
SCHEMBL7015228 0.79 PDE4A (0.51) PIK3CDMAPTALDH1A1KDM4EHPGD
SCHEMBL7011671 0.78 PDE4A (0.52) PIK3CDMAPTALDH1A1KDM4EHPGD
SCHEMBL7015082 0.77 MAPT (0.45) PIK3CDMAPTALDH1A1KDM4EHPGD
SCHEMBL7016954 0.76 PDE4A (0.61) PIK3CDMAPTALDH1A1KDM4EHPGD
SCHEMBL7016905 0.74 MAPT (0.43) PIK3CDMAPTALDH1A1KDM4EHPGD
SCHEMBL7016046 0.73 PDE4A (0.54) PIK3CDMAPTALDH1A1KDM4EHPGD
SCHEMBL7015963 0.72 PDE4A (0.55) PIK3CDMAPTALDH1A1KDM4EHPGD
SCHEMBL7013236 0.72 PDE4A (0.55) PIK3CDMAPTALDH1A1KDM4EHPGD

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
EP-1086106-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE Darwin Discovery Limited (GB) 2001-03-28 EP disclosed
WO-1999064423-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LIMITED (GB) 1999-12-16 WO disclosed