SCHEMBL17811463

SCHEMBL17811463

Cc1ccc(-c2cc3c(s2)NC(=O)CC3=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.38
ROCK1 Q13464 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
PTP4A3 O75365 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MAPT P10636 2/20 0.36
EPHX2 P34913 2/20 0.36
GRIA1 P42261 2/20 0.35
CACNG8 Q8WXS5 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ESR1 P03372 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
SCHEMBL14717835 0.85 TDP2 (0.42) CDC7ROCK1DBF4PTP4A3PDE3B
SCHEMBL14719196 0.85 PTP4A3 (0.48) CDC7ROCK1DBF4PTP4A3PDE3B
SCHEMBL14717979 0.76 MEN1 (0.46) PDE3BPDE3AEPHX2GRIA1CACNG8
SCHEMBL5209408 0.67 CDC7 (0.41) CDC7DBF4MAPTALDH1A1HPGD
SCHEMBL26998804 0.66 PDE3B (0.50) PDE3BPDE3AEPHX2GRIA1CACNG8
SCHEMBL22013197 0.65 PTP4A3 (0.74) CDC7ROCK1DBF4PTP4A3MEN1
SCHEMBL11521591 0.63 ESR1 (0.66) PTP4A3MAPTSMN1; SMN2LMNANPSR1
SCHEMBL14718279 0.62 PDE3B (0.38) PDE3BPDE3AMAPTALDH1A1HPGD
SCHEMBL16546086 0.62 PTP4A3 (0.42) PTP4A3MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL10711573 0.62 GRIA1 (0.42) PDE3BPDE3AMAPTEPHX2GRIA1

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