SCHEMBL9819970

SCHEMBL9819970

COC(=O)Oc1cc(=O)cc2oc3ccccc3nc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NR1I2 O75469 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
MAOA P21397 1/20 0.42
HTR2C P28335 1/20 0.42
CCKAR P32238 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
OPRD1 P41143 1/20 0.42
HTR3A P46098 1/20 0.42
BLM P54132 1/20 0.42
MAPT P10636 7/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 4/20 0.41
KDM4E B2RXH2 4/20 0.41

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
B-D-Galactose SCHEMBL9820002 0.86 SLC5A2 (0.40) MEN1KMT2ANR1I2CHRM1DRD2
SCHEMBL9819995 0.85 AGPAT2 (0.44) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL21729785 0.84 NPC1 (0.48) MEN1KMT2ANR1I2CHRM1DRD2
SCHEMBL7200395 0.79 APP (0.46) MEN1KMT2ANR1I2CHRM1DRD2
SCHEMBL9820096 0.78 PPARG (0.42) MEN1KMT2AMAPTRAB9ANPC1
B-D-Galactose SCHEMBL9819987 0.73 LGALS8 (0.38) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL9833606 0.71 GAA (0.44) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL31011135 0.70 MAOA (0.51) MEN1KMT2ANR1I2CHRM1DRD2
SCHEMBL20362084 0.69 MAPT (0.52) MEN1KMT2ANR1I2CHRM1DRD2
SCHEMBL17866889 0.68 PDE10A (0.41) MEN1KMT2AMAPTALDH1A1HPGD

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-0156347-B1 GLYCOSIDES OF RESOFURIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE IN THE DETERMINATION OF THE ACTIVITY OF GLYCOSIDASES Roche Diagnostics GmbH (DE) 1991-09-04 EP disclosed
EP-0156347-A2 Glycosides of resofurin derivatives, method for their preparation and their use in the determination of the activity of glycosidases Roche Diagnostics GmbH (DE) 1985-10-02 EP disclosed