SCHEMBL9070769

SCHEMBL9070769

Nc1c(NC(=O)C2CCCC2)sc2c1CCC(c1ccccc1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.48
PDE4D Q08499 1/20 0.48
HPGD P15428 3/20 0.42
PIP5K1C O60331 1/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
FLT3 P36888 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
SCHEMBL5458275 0.87 PDE4B (0.63) PDE4BPDE4DHPGDMAPTALDH1A1
SCHEMBL2649911 0.84 ALDH1A1 (0.57) HPGDMAPTALDH1A1KDM4EMEN1
SCHEMBL2665979 0.80 GCGR (0.51) PDE4BPDE4DHPGDMAPTALDH1A1
SCHEMBL2665957 0.72 MAPT (0.55) HPGDMAPTALDH1A1HTTKDM4E
SCHEMBL7929684 0.71 PDE4B (0.55) PDE4BPDE4DHPGDMAPTALDH1A1
SCHEMBL21260713 0.71 PDE4B (0.52) PDE4BPDE4DHPGDMAPTALDH1A1
SCHEMBL21247126 0.70 RAB9A (0.65) PDE4BPDE4DHPGDMAPTALDH1A1
SCHEMBL21333308 0.70 MAPT (0.59) PDE4BPDE4DHPGDMAPTALDH1A1
SCHEMBL4227925 0.69 MAPT (0.48) PDE4BPDE4DHPGDMAPTALDH1A1
SCHEMBL5371517 0.69 ALDH1A1 (0.56) PDE4BPDE4DHPGDMAPTALDH1A1

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
WO-2004024066-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS MERCK & CO., INC. (US) 2004-03-25 WO disclosed