SCHEMBL7980780

SCHEMBL7980780

O=C(NCP(=O)(O)O)c1cc2ccccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 3/20 0.65
GAA P10253 1/20 0.65
MAPK1 P28482 1/20 0.65
HSD17B10 Q99714 2/20 0.62
DRD2 P14416 1/20 0.62
DRD3 P35462 1/20 0.62
AKR1C3 P42330 1/20 0.60
HTR2C P28335 1/20 0.60
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59

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
SCHEMBL9397179 0.81 DRD2 (0.74) KDM4EALDH1A1GAAMAPK1HSD17B10
SCHEMBL5279027 0.81 KDM4E (0.74) KDM4EALDH1A1GAAMAPK1HSD17B10
SCHEMBL27550290 0.81 AKR1C3 (0.86) KDM4EALDH1A1GAAMAPK1HSD17B10
SCHEMBL8870837 0.80 KDM4E (0.67) KDM4EALDH1A1GAAMAPK1HSD17B10
SCHEMBL29904432 0.80 KDM4E (0.83) KDM4EALDH1A1GAAMAPK1HSD17B10
SCHEMBL474835 0.79 KDM4E (1.00) KDM4EALDH1A1GAAMAPK1HSD17B10
SCHEMBL29580477 0.79 KDM4E (1.00) KDM4EALDH1A1GAAMAPK1HSD17B10
SCHEMBL13753861 0.79 DRD2 (0.84) KDM4EALDH1A1GAAMAPK1HSD17B10
SCHEMBL2735969 0.79 CA12 (0.72) KDM4EALDH1A1GAAMAPK1HSD17B10
SCHEMBL7742785 0.79 DRD2 (0.66) KDM4EALDH1A1GAAMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294672-B1 FOR THERAPY OF DIABETES, AND OTHER DISEASES WHERE THE INHIBITION OF GLUCONEOGENESIS, CONTROL OF BLOOD GLUCOSE LEVELS, REDUCTION IN GLYCOGEN STORES, OR REDUCTION IN INSULIN LEVELS IS BENEFICIAL METABASIS THERAPEUTICS, INC. 2001-09-25 US disclosed
US-6054587-A ANTIDIABETIC AGENTS METABASIS THERAPEUTICS, INC. (US) 2000-04-25 US disclosed
WO-1998039342-A1 NOVEL INDOLE AND AZAINDOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 WO disclosed