SCHEMBL3354874

SCHEMBL3354874

CN1CCC(n2cc3ccc(N)cc3n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
NSD2 O96028 1/20 0.54
IRAK4 Q9NWZ3 4/20 0.42
TLR8 Q9NR97 2/20 0.41
AXL P30530 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.36
F2 P00734 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36

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
SCHEMBL15910937 0.85 KDM4E (0.51) KDM4EMAPTALDH1A1NSD2IRAK4
SCHEMBL3353393 0.85 ALDH1A1 (0.47) KDM4EMAPTALDH1A1NSD2IRAK4
SCHEMBL3351305 0.85 MAPT (0.47) KDM4EMAPTALDH1A1NSD2IRAK4
SCHEMBL25912147 0.83 TLR8 (0.41) IRAK4TLR8AXLGAASMN1; SMN2
SCHEMBL26684343 0.81 KDM4E (0.42) KDM4EMAPTALDH1A1NSD2IRAK4
SCHEMBL13537512 0.80 TLR8 (0.42) IRAK4TLR8AXLGAASMN1; SMN2
SCHEMBL3358873 0.78 MAPT (0.59) MAPTALDH1A1IRAK4TLR8SMN1; SMN2
SCHEMBL25338952 0.77 NR1H2 (0.46) KDM4EMAPTALDH1A1IRAK4HTT
SCHEMBL26683618 0.75 CRBN (0.41) IRAK4TLR8AXL
SCHEMBL29081357 0.75 TLR8 (0.36) IRAK4TLR8AXLGAASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed