SCHEMBL11107372

SCHEMBL11107372

NC(=O)Oc1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
TTR P02766 3/20 0.52
ALDH1A1 P00352 5/20 0.50
ADORA2A P29274 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KCNA3 P22001 1/20 0.49
ELANE P08246 1/20 0.48
MEN1 O00255 5/20 0.47
MAPT P10636 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPK1 P28482 4/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
ABCC4 O15439 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL23212346 0.84 TTR (0.57) KEAP1NFE2L2TTRALDH1A1ADORA2A
SCHEMBL8777916 0.83 ADORA2A (0.63) KEAP1NFE2L2ALDH1A1ADORA2AL3MBTL1
SCHEMBL11039554 0.83 ELANE (0.55) KEAP1NFE2L2TTRALDH1A1ADORA2A
SCHEMBL8675454 0.83 TTR (0.52) KEAP1NFE2L2TTRALDH1A1ADORA2A
SCHEMBL11101186 0.83 TTR (0.72) TTRALDH1A1ADORA2AL3MBTL1KCNA3
SCHEMBL28311908 0.81 TTR (0.51) KEAP1NFE2L2TTRALDH1A1ADORA2A
SCHEMBL28341314 0.81 ELANE (0.57) TTRALDH1A1ADORA2AL3MBTL1KCNA3
SCHEMBL29019962 0.81 KCNA3 (0.51) KEAP1NFE2L2TTRALDH1A1ADORA2A
SCHEMBL8745735 0.81 TTR (0.47) KEAP1NFE2L2TTRALDH1A1ADORA2A
SCHEMBL11524597 0.80 TOP1 (0.66) TTRALDH1A1ADORA2AL3MBTL1KCNA3

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-4451278-A 1-Hydroxyanthraquinone aquatic herbicide GAF CORPORATION (US) 1984-05-29 US disclosed