SCHEMBL365082

SCHEMBL365082

N#CCOc1cc(OCc2cccnc2)c2c(C#N)c3ccccc3n2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.40
HTR1A P08908 2/20 0.38
DRD2 P14416 2/20 0.38
CD274 Q9NZQ7 1/20 0.38
CYP11B1 P15538 2/20 0.37
IKBKB O14920 1/20 0.37
CTSS P25774 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SQOR Q9Y6N5 1/20 0.36
APP P05067 1/20 0.35
SNCA P37840 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
AS3MT Q9HBK9 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL366695 0.91 MKNK1 (0.41) CYP11B2CD274CYP11B1KDM4EALDH1A1
SCHEMBL367194 0.85 GPR132 (0.38) HTR1ADRD2IKBKBCYP1A2CYP3A4
SCHEMBL365965 0.85 ACVR2A (0.38) HTR1ADRD2IKBKBKDM4EAPP
SCHEMBL365103 0.81 MAPT (0.38) CYP11B2CYP11B1KDM4EALDH1A1MEN1
SCHEMBL365081 0.77 KDM4E (0.38) CYP11B2HTR1ADRD2CD274CYP11B1
SCHEMBL364643 0.77 CYP11B1 (0.40) CYP11B2CYP11B1KDM4EALDH1A1HPGD
SCHEMBL366016 0.76 MAPK12 (0.39) CYP11B2CYP11B1KDM4EAPPSNCA
SCHEMBL366915 0.76 PSEN1 (0.37) ALDH1A1MEN1KMT2AAS3MTMAPT
SCHEMBL365402 0.76 PSEN1 (0.38) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL366906 0.75 HTT (0.37) KDM4EALDH1A1MEN1KMT2AMAPT

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-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed