SCHEMBL2778641

SCHEMBL2778641

COC(=O)C1N=c2ccccc2=CC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
POLB P06746 1/20 0.34
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
ITGA4 P13612 1/20 0.32
P2RX4 Q99571 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 2/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
HBB P68871 1/20 0.30
MMP2 P08253 1/20 0.30
ANPEP P15144 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30

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
SCHEMBL3715233 0.83 DAO (0.31) ITGA4TSHR
SCHEMBL5827435 0.73
SCHEMBL28488959 0.71 MEN1 (0.30) MEN1KMT2AMAPTMAPK1
SCHEMBL10726304 0.71 MEN1 (0.31) ALDH1A1MEN1KMT2AMAPT
SCHEMBL28201086 0.69
SCHEMBL27964340 0.67
SCHEMBL29056026 0.66 DAO (0.30) TSHR
SCHEMBL28682085 0.65 GAA (0.34)
SCHEMBL30237619 0.64 PIM1 (0.33)
SCHEMBL27803893 0.61 GRM2 (0.33) ALDH1A1MEN1KMT2A

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-2010070449-A2 HIGHLY PURE LAQUINIMOD OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2010-06-24 WO disclosed