SCHEMBL2839705

SCHEMBL2839705

Cc1c(Cc2ccccc2)c(=O)oc2c(O)c(O)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
GAA P10253 6/20 1.00
HTT P42858 4/20 1.00
POLB P06746 4/20 1.00
MAPT P10636 3/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
JAK2 O60674 1/20 1.00
PKM P14618 1/20 1.00
MAPK1 P28482 1/20 1.00
MPI P34949 1/20 1.00
BLM P54132 1/20 1.00
MCL1 Q07820 1/20 1.00
SHBG P04278 1/20 0.82
GLA P06280 2/20 0.61
HSD17B3 P37058 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
ERAP1 Q9NZ08 1/20 0.61
ALDH1A1 P00352 7/20 0.60
HPGD P15428 3/20 0.57
HSD17B10 Q99714 2/20 0.57

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
SCHEMBL19236367 0.89 KDM4E (0.79) KDM4EGAAHTTPOLBMAPT
SCHEMBL14317878 0.84 SHBG (0.73) KDM4EGAAHTTPOLBMAPT
SCHEMBL14317876 0.82 SHBG (0.70) KDM4EGAAHTTPOLBMAPT
SCHEMBL2791744 0.81 GAA (0.67) KDM4EGAAHTTPOLBMAPT
SCHEMBL8745765 0.79 KDM4E (0.65) KDM4EGAAHTTPOLBMAPT
SCHEMBL14924903 0.79 KDM4E (0.65) KDM4EGAAHTTPOLBMAPT
SCHEMBL31414410 0.77 KDM4E (0.61) KDM4EGAAHTTPOLBMAPT
SCHEMBL15285080 0.77 KDM4E (0.61) KDM4EGAAHTTPOLBMAPT
SCHEMBL29528063 0.77 SHBG (0.67) KDM4EGAAHTTPOLBMAPT
SCHEMBL7797770 0.77 KDM4E (0.74) KDM4EGAAHTTPOLBMAPT

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
WO-2010056914-A1 BACTERIAL HELICASE INHIBITOR COMPOUNDS AND USES THEREOF MICROBIOTIX, INC. (US) 2010-05-20 WO claimed
WO-2010056914-A1 BACTERIAL HELICASE INHIBITOR COMPOUNDS AND USES THEREOF MICROBIOTIX, INC. (US) 2010-05-20 WO disclosed
WO-2010056914-A1 BACTERIAL HELICASE INHIBITOR COMPOUNDS AND USES THEREOF MICROBIOTIX, INC. (US) 2010-05-20 WO disclosed