SCHEMBL3354719

SCHEMBL3354719

CC(C)(C)N(C(=O)O)c1ccc2ncn(CCN3CCCC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
HDAC1 Q13547 2/20 0.43
TERT O14746 2/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
CDK9 P50750 2/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
HPGD P15428 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
KDR P35968 2/20 0.36
MLLT1 Q03111 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL30782239 0.77 KDM2B (0.51) MCHR1HDAC1DRD2DRD4DRD3
SCHEMBL21025783 0.75 KDM4E (0.48) MCHR1HDAC1ALDH1A1
SCHEMBL3349367 0.74 FLT3 (0.45) DRD2ALDH1A1TSHRHSD17B10KDM2B
SCHEMBL17678353 0.73 TSHR (0.48) MCHR1HDAC1TSHRHSD17B10
SCHEMBL3430045 0.73 SMN1; SMN2 (0.50) MCHR1HDAC1HPGDMTNR1AMTNR1B
SCHEMBL21026236 0.72 HRH3 (0.48)
SCHEMBL3354425 0.72 GAA (0.45) HDAC1HPGDALDH1A1MAPTHSD17B10
SCHEMBL3353218 0.71 KCNH2 (0.49) MCHR1HDAC1HPGDALDH1A1MAPT
SCHEMBL18731878 0.71 HDAC1 (0.47) MCHR1HDAC1DRD2DRD4DRD3
SCHEMBL3352914 0.71 HSD17B10 (0.51) MCHR1HDAC1DRD2DRD4DRD3

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