SCHEMBL327680

SCHEMBL327680

NC(CS)C1=CC(=O)c2cccc(O)c2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 12/20 0.51
AURKA O14965 2/20 0.51
AURKB Q96GD4 2/20 0.51
BACE1 P56817 1/20 0.48
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
RECQL P46063 4/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
USP2 O75604 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
MAOA P21397 2/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
ALOX15 P16050 3/20 0.45
MAPK1 P28482 3/20 0.45
HSD17B10 Q99714 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL16879551 0.72 P4HB (0.64) P4HBAURKAAURKBBACE1MAPT
SCHEMBL29728494 0.71 MAPT (0.72) P4HBAURKAAURKBBACE1MAPT
SCHEMBL5175867 0.71 MAPT (0.72) P4HBAURKAAURKBBACE1MAPT
SCHEMBL10034768 0.69 P4HB (0.55) P4HBAURKAAURKBBACE1MAPT
SCHEMBL4812624 0.69 P4HB (0.77) P4HBAURKAAURKBSTAT3
SCHEMBL24389157 0.68 P4HB (0.64) P4HBAURKAAURKBBACE1MAPT
SCHEMBL2957896 0.68 AURKA (1.00) P4HBAURKAAURKBBACE1MAPT
SCHEMBL868197 0.68 P4HB (1.00) P4HBAURKAAURKBBACE1MAPT
SCHEMBL29440907 0.68 MAPT (0.74) P4HBAURKAAURKBBACE1MAPT
SCHEMBL29647673 0.68 P4HB (1.00) P4HBAURKAAURKBBACE1MAPT

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-2012004543-A1 DEVICE FOR DETECTING MOLECULES OF INTEREST, ITS MANUFACTURING PROCESS AND ITS USE UNIVERSITE PARIS DIDEROT-PARIS 7 (FR) 2012-01-12 WO disclosed