SCHEMBL3357288

SCHEMBL3357288

Cc1c(CN2CCOCC2)c2cc(N)ccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.46
CNR1 P21554 4/20 0.46
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
CYP2A13 Q16696 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL13537329 0.81 CNR2 (0.44) CNR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL3353157 0.79 MAPT (0.55) CNR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL9400555 0.75 KDM4E (0.46) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL3357664 0.75 HRH3 (0.47) ALDH1A1HSD17B10KDM4EMAPTCYP2A13
SCHEMBL30409773 0.74 CNR1 (0.47) CNR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL9400579 0.74 KDM4E (0.45) CNR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL23606081 0.73 HRH3 (0.47) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL3351981 0.72 ICMT (0.55) CNR2CNR1HSD17B10KDM4EMAPT
Hydrochloric Acid SCHEMBL1391137 0.70 POLB (0.56) ALDH1A1KMT2AKDM4EMAPTTSHR
SCHEMBL3399817 0.70 CYP2A13 (0.61) CNR2CNR1KMT2AHSD17B10KDM4E

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