SCHEMBL5488685

SCHEMBL5488685

CN1CCCc2cc(-c3nc4cc(-c5nnn[nH]5)ccc4n3C3CCCCC3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GFER P55789 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP11B2 P19099 7/20 0.34
OPRM1 P35372 4/20 0.34
OPRL1 P41146 4/20 0.34
WDR5 P61964 1/20 0.34
PRKACA P17612 1/20 0.34
RPS6KB1 P23443 1/20 0.34
GSK3B P49841 1/20 0.34
NOTUM Q6P988 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL4125031 0.81 KDM4E (0.36) L3MBTL1ALDH1A1MAPTKDM4EGFER
SCHEMBL4125061 0.80 KDM4E (0.36) L3MBTL1ALDH1A1MAPTKDM4EGFER
SCHEMBL4125421 0.79 CYP11B2 (0.39) L3MBTL1ALDH1A1MAPTKDM4EGFER
SCHEMBL4137491 0.79 CYP11B2 (0.41) L3MBTL1ALDH1A1MAPTKDM4EGFER
SCHEMBL5481983 0.78 KDM4E (0.35) L3MBTL1ALDH1A1MAPTKDM4EGFER
SCHEMBL4130964 0.78 CYP11B2 (0.38) L3MBTL1ALDH1A1MAPTKDM4EGFER
SCHEMBL4118354 0.78 CYP11B2 (0.42) L3MBTL1ALDH1A1MAPTKDM4EGFER
SCHEMBL13905028 0.78 CYP11B2 (0.42) L3MBTL1ALDH1A1MAPTKDM4EGFER
SCHEMBL4135255 0.77 HDAC1 (0.35) L3MBTL1ALDH1A1MAPTKDM4EGFER
SCHEMBL4130110 0.77 L3MBTL1 (0.35) L3MBTL1ALDH1A1MAPTKDM4EGFER

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
JP-2007501189-A 2007-01-25 JP claimed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP claimed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO claimed