SCHEMBL4704199

SCHEMBL4704199

Nc1nc2cccc(-c3ccccc3)c2c2c1nc1n2CCOC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
NCF1 P14598 1/20 0.34
MAPT P10636 4/20 0.34
MAPK1 P28482 2/20 0.34
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MET P08581 1/20 0.34
HTT P42858 2/20 0.33
CASP1 P29466 1/20 0.33
LMNA P02545 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL4702114 0.83 ACHE (0.38) ALDH1A1MAPTTP53HRH4PIK3CA
SCHEMBL8114384 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL1775006 0.82 MAPT (0.36) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL2513546 0.81 LMNA (0.33) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL4792173 0.80 TP53 (0.34) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL2241078 0.80 ALDH1A1 (0.35) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL1776124 0.79 GRM5 (0.36) KDM4EALDH1A1MAPTTP53NPC1
SCHEMBL2248351 0.78 TLR7 (0.35) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL2243546 0.78 DHFR (0.33) ALDH1A1HRH4PIK3CDPIK3CAPIK3CG
SCHEMBL4794357 0.78 PIK3CB (0.33) ALDH1A1MAPTTP53NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831226-A4 CHIRAL FUSED 1,2 IMIDAZO 4,5-c RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-11-05 EP disclosed
EP-1831226-A2 CHIRAL FUSED 1,2 IMIDAZO 4,5-c RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-12 EP disclosed
WO-2006074003-A2 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-07-13 WO disclosed