SCHEMBL5798620

SCHEMBL5798620

COc1cccc2c(C)cc(=O)[nH]c12.COc1ccccc1NC(=O)CC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 2/20 0.64
▸ KMT2A Q03164 6/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ GFER P55789 1/20 0.53
▸ MAPT P10636 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HPGD P15428 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ POLB P06746 2/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL5433980 0.80 NQO2 (1.00) NQO2KMT2AMEN1MAPTKDM4E
SCHEMBL54737 0.79 KMT2A (0.69) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL31590799 0.79 KMT2A (0.69) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL11512860 0.76 KDM4E (0.57) NQO2KMT2AMEN1GFERKDM4E
SCHEMBL7747949 0.72 HDAC3 (0.72) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL2007035 0.71 MEN1 (0.76) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL28046011 0.70 ALDH1A1 (0.55) KMT2AMEN1MAPTPOLBALDH1A1
Edulitine SCHEMBL3188973 0.69 NQO2 (0.76) NQO2KMT2AMEN1MAPTKDM4E
Edulitine SCHEMBL30631639 0.69 NQO2 (0.76) NQO2KMT2AMEN1MAPTKDM4E
SCHEMBL26607693 0.69 NQO2 (0.70) NQO2KMT2AMEN1MAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706384-A1 THERAPEUTIC AGENTS I AstraZeneca AB (SE) 2006-10-04 — — EP disclosed
WO-2005066132-A1 THERAPEUTIC AGENTS I ASTRAZENECA AB (SE) 2005-07-21 — — WO disclosed
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