SCHEMBL3349367

SCHEMBL3349367

CN1CCC(n2cnc3ccc(N(C(=O)O)C(C)(C)C)cc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.45
USP2 O75604 1/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 1/20 0.40
DRD2 P14416 1/20 0.39
SLC6A4 P31645 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
PRMT5 O14744 2/20 0.38
HCAR1 Q9BXC0 1/20 0.37
KDM2B Q8NHM5 1/20 0.36
FPR2 P25090 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK10 P53779 1/20 0.36
KMT2A Q03164 1/20 0.36
TACR2 P21452 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
SCHEMBL3354425 0.89 GAA (0.45) FLT3USP2HSD17B10GAAALDH1A1
SCHEMBL3352200 0.78 GAA (0.61) FLT3USP2HSD17B10GAADRD2
SCHEMBL15943817 0.75 DRD2 (0.46) FLT3USP2GAADRD2SLC6A4
SCHEMBL3352205 0.75 PRMT5 (0.44) FLT3USP2HSD17B10GAADRD2
SCHEMBL4293328 0.75 FLT3 (0.48) FLT3USP2HSD17B10GAADRD2
SCHEMBL3354719 0.74 MCHR1 (0.47) HSD17B10DRD2ALDH1A1KDM2BTSHR
SCHEMBL15344990 0.73 DRD2 (0.49) FLT3USP2DRD2SLC6A4ALDH1A1
SCHEMBL3353454 0.72 DDB1 (0.51) FLT3HSD17B10GAADRD2SLC6A4
SCHEMBL14852094 0.72 DRD2 (0.45) FLT3USP2HSD17B10GAADRD2
SCHEMBL14852148 0.72 FLT3 (0.45) FLT3USP2HSD17B10GAADRD2

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 1 patent. 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