SCHEMBL8739310

SCHEMBL8739310

COc1ccc(N)cc1Nc1nc(-c2sc(C)nc2C)cs1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.78
KMT2A Q03164 8/20 0.78
GAA P10253 5/20 0.78
MAPT P10636 5/20 0.78
MAPK1 P28482 1/20 0.78
NPSR1 Q6W5P4 1/20 0.78
ALDH1A1 P00352 3/20 0.70
TDP1 Q9NUW8 2/20 0.70
HSD17B10 Q99714 1/20 0.70
OPRM1 P35372 4/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
PDE5A O76074 1/20 0.64
PDE1A P54750 1/20 0.64
PDE1B Q01064 1/20 0.64
PDE1C Q14123 1/20 0.64
NPC1 O15118 2/20 0.63
POLB P06746 1/20 0.57
TRPV4 Q9HBA0 3/20 0.56
KDM4E B2RXH2 2/20 0.56
LMNA P02545 2/20 0.56

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
SCHEMBL8739499 0.92 MEN1 (0.82) MEN1KMT2AGAAMAPTMAPK1
SCHEMBL6114308 0.87 MEN1 (0.78) MEN1KMT2AGAAMAPTMAPK1
SCHEMBL14058795 0.87 MEN1 (0.78) MEN1KMT2AGAAMAPTMAPK1
Bromide SCHEMBL14053360 0.86 MEN1 (0.77) MEN1KMT2AGAAMAPTMAPK1
SCHEMBL6113962 0.85 MMP9 (0.75) MEN1KMT2AGAAMAPTNPSR1
SCHEMBL8737941 0.84 MEN1 (0.71) MEN1KMT2AGAAMAPTMAPK1
SCHEMBL8737705 0.84 MEN1 (0.71) MEN1KMT2AGAAMAPTMAPK1
SCHEMBL6114270 0.84 MEN1 (0.74) MEN1KMT2AGAAMAPTMAPK1
SCHEMBL8738372 0.84 MEN1 (0.74) MEN1KMT2AGAAMAPTMAPK1
SCHEMBL14053325 0.84 OPRM1 (0.83) MEN1KMT2AGAAMAPTMAPK1

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-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed