SCHEMBL11367663

SCHEMBL11367663

COc1ccc(-n2c(=O)n3n(c2=O)CCCCC3)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MAPT P10636 4/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.46
MGLL Q99685 1/20 0.44
HPGD P15428 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL11358618 0.98 POLB (0.53) POLBMAPTMAPK1HSD17B10GSK3A
SCHEMBL11367742 0.95 POLB (0.53) POLBMAPTMAPK1HSD17B10GSK3A
SCHEMBL11367971 0.89 POLB (0.45) POLBMAPTMAPK1HSD17B10GSK3A
SCHEMBL11377070 0.89 POLB (0.45) POLBMAPTMAPK1HSD17B10GSK3A
SCHEMBL11367667 0.87 POLB (0.46) POLBMAPTMAPK1HSD17B10GSK3A
SCHEMBL11372018 0.84 POLB (0.46) POLBMAPTMAPK1HSD17B10GSK3A
SCHEMBL9389184 0.81 GSK3A (0.61) POLBMAPTGSK3AGSK3BALDH1A1
SCHEMBL11366882 0.80 ALDH1A1 (0.49) POLBMAPTMAPK1HSD17B10GSK3A
SCHEMBL11376362 0.80 LMNA (0.57) MAPTMAPK1HSD17B10ALDH1A1LMNA
SCHEMBL11377863 0.78 ALDH1A1 (0.58) POLBMAPTMAPK1HSD17B10GSK3A

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-4249934-A 1,2-Alkylene-4-substituted urazole herbicides MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1981-02-10 US disclosed