SCHEMBL17811461

SCHEMBL17811461

CN1C(=O)C(c2ccccc2)C(=O)c2ccsc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR2B P41595 1/20 0.44
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.37
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GFER P55789 1/20 0.35
BRD4 O60885 3/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAOA P21397 1/20 0.34
PTGS2 P35354 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
SCHEMBL14718132 0.76 CES1 (0.32) MAPTKMT2AMEN1HPGD
SCHEMBL17070930 0.74 HPGD (0.57) LMNATP53MAPTCYP1A2CYP3A4
SCHEMBL7087174 0.71 GABRA1 (0.64) LMNABRD4
SCHEMBL64294 0.69 KMT2A (0.48) LMNATP53MAPTCYP1A2CYP3A4
SCHEMBL6294237 0.66 KMT2A (0.46) LMNATP53MAPTCYP1A2CYP3A4
SCHEMBL14719197 0.66 TP53 (0.47) LMNATP53MAPTCYP1A2CYP3A4
Phenindione SCHEMBL33831 0.64 MAPT (1.00) LMNATP53MAPTCYP1A2CYP3A4
Phenindione SCHEMBL29388073 0.64 MAPT (1.00) LMNATP53MAPTCYP1A2CYP3A4
SCHEMBL7094749 0.64 GABRA1 (0.62) LMNA
SCHEMBL9952138 0.64 CHEK1 (0.49) LMNATP53MAPTCYP1A2CYP3A4

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