SCHEMBL7980702

SCHEMBL7980702

O=P(O)(O)c1ccc(-c2cc3ccccc3[nH]2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
CHEK1 O14757 1/20 0.43
KDR P35968 1/20 0.43
FBP1 P09467 11/20 0.42
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7980716 0.79 KDM4E (0.38) NPC1RAB9ACHEK1KDRMEN1
Phosphoric Acid SCHEMBL7651467 0.77 RAB9A (0.59) NPC1RAB9ACHEK1KDRMEN1
SCHEMBL6829765 0.72 MMP2 (0.56) NPC1RAB9AFBP1MEN1KMT2A
SCHEMBL29631691 0.69 RAB9A (0.74) NPC1RAB9ACHEK1KDRMEN1
SCHEMBL374022 0.69 RAB9A (0.74) NPC1RAB9ACHEK1KDRMEN1
SCHEMBL2993551 0.69 FLT3 (0.50) NPC1RAB9ACHEK1KDRKDM4E
SCHEMBL29628104 0.69 FLT3 (0.50) NPC1RAB9ACHEK1KDRKDM4E
SCHEMBL927135 0.68 RAB9A (0.54) NPC1RAB9ACHEK1KDRMEN1
SCHEMBL4725274 0.67 PDE5A (0.47) FBP1
SCHEMBL2550035 0.66 CTSV (0.61) NPC1RAB9ACHEK1KDRMEN1

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