SCHEMBL3350340

SCHEMBL3350340

COCCn1cc(C(=O)N2CCN(C)CC2)c2cc(N)ccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 4/20 0.53
GLA P06280 4/20 0.53
GAA P10253 4/20 0.53
HPGD P15428 4/20 0.53
HSD17B10 Q99714 4/20 0.53
CNR1 P21554 6/20 0.51
TPSAB1 Q15661 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.43
CNR2 P34972 3/20 0.42
HRH4 Q9H3N8 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3357817 0.91 ALDH1A1 (0.53) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL13537370 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL3351564 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL13537301 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL3354160 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL10517571 0.72 MTOR (0.45) ALDH1A1GAAHSD17B10POLB
SCHEMBL31735441 0.72 DYRK1A (0.43) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL21650784 0.71 ALDH1A1 (0.61) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL24166110 0.70 HRH4 (0.47) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL30426961 0.70 HRH4 (0.47) ALDH1A1KDM4EGLAGAAHPGD

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