SCHEMBL3358324

SCHEMBL3358324

Nc1ccc2c(cnn2C2CCN(C3CCCC3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
OGFRL1 Q5TC84 5/20 0.40
OPRM1 P35372 4/20 0.40
OPRD1 P41143 4/20 0.40
OPRK1 P41145 4/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
CSNK1A1 P48729 1/20 0.40
GSK3A P49840 1/20 0.40
LIMK1 P53667 1/20 0.40
IKBKE Q14164 1/20 0.40
MAPK14 Q16539 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL29200978 0.90 KDM4E (0.49) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL3351612 0.89 OGFRL1 (0.40) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL14923489 0.85 CHEK1 (0.47) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL3358945 0.83 ALOX15 (0.52) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL1871485 0.80 ALDH1A1 (0.50) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL30271240 0.80 CHEK1 (0.42) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL3353482 0.80 CHEK1 (0.42) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL3352334 0.80 HTR2A (0.45) KDM4EMAPTGFERCHEK1AURKA
SCHEMBL30778591 0.80 KDM4E (0.43) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL12274589 0.79 MAPK14 (0.47) CHEK1AURKADAPK3CSNK1A1GSK3A

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