SCHEMBL7994775

SCHEMBL7994775

COc1ccc2[nH]c(C(=O)NCP(=O)(O)O)cc2c1.[Na].[Na]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.67
MAPT P10636 6/20 0.67
ALDH1A1 P00352 6/20 0.67
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
PDGFRB P09619 2/20 0.60
PDGFRA P16234 2/20 0.60
HDAC3 O15379 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC4 P56524 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
LMNA P02545 1/20 0.56
HPGD P15428 1/20 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
SCHEMBL7994763 0.97 KDM4E (0.67) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL7994766 0.86 KDM4E (0.65) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL13753883 0.84 KDM4E (0.77) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL22518517 0.81 PDGFRB (0.70) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL9517979 0.80 PDGFRB (0.72) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL12641907 0.79 KDM4E (1.00) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL24019692 0.78 KDM4E (0.77) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL6038176 0.77 KDM4E (0.77) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL7980780 0.77 KDM4E (0.65) KDM4EALDH1A1NPC1RAB9AHDAC3
SCHEMBL1104006 0.77 PDGFRB (0.77) KDM4EMAPTALDH1A1NPC1RAB9A

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