SCHEMBL17811546

SCHEMBL17811546

Cc1sc2c(c1-c1ccccc1)C(=O)CC(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
AR P10275 1/20 0.40
PDE4A P27815 1/20 0.40
ADRA1A P35348 1/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
RXFP1 Q9HBX9 1/20 0.36
RAB9A P51151 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
TDP2 O95551 1/20 0.35
CHEK1 O14757 2/20 0.34
PDGFRA P16234 2/20 0.34
CDK5 Q00535 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
AURKA O14965 1/20 0.34

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
SCHEMBL17811547 0.81 SMN1; SMN2 (0.37) PGRHTR1AADRA2AADORA3AR
SCHEMBL14718130 0.75 RECQL (0.31) ALDH1A1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL13337266 0.70 AKT2 (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDRXFP1
SCHEMBL7661269 0.69 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EHPGDRXFP1
SCHEMBL2153093 0.69 MAPT (0.39) PGRHTR1AADRA2AADORA3AR
SCHEMBL14719196 0.68 PTP4A3 (0.48) ALDH1A1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL10109209 0.63 ALOX5 (0.42) ALDH1A1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL12589711 0.63 TDP2 (0.42) ALDH1A1SMN1; SMN2HPGDRAB9ATDP2
SCHEMBL13093559 0.61 CHEK1 (0.42) ALDH1A1SMN1; SMN2KDM4EHPGDRXFP1
Biphenyl SCHEMBL1855900 0.61 TDP2 (0.52) PGRALDH1A1SMN1; SMN2KDM4EHPGD

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
US-9365584-B2 Thieno [2,3-B] pyridinedione activators of AMPK and therapeutic uses thereof POXEL (FR) 2016-06-14 US disclosed