SCHEMBL6629751

SCHEMBL6629751

NC(=O)c1ccccc1Oc1cnco1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.53
IRAK4 Q9NWZ3 1/20 0.44
PARP1 P09874 3/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
NR1I2 O75469 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
AKR1C1 Q04828 1/20 0.39
TBXAS1 P24557 1/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PRSS1 P07477 1/20 0.39

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
SCHEMBL4881547 0.80 CTNNB1 (0.48) CTNNB1IRAK4PARP1MAPTMEN1
SCHEMBL6630801 0.76 CTNNB1 (0.57) CTNNB1IRAK4PARP1MAPTMEN1
SCHEMBL7693879 0.76 CTNNB1 (0.77) CTNNB1IRAK4PARP1MAPTMEN1
SCHEMBL4879222 0.74 CTNNB1 (0.42) CTNNB1IRAK4PARP1MAPTMEN1
SCHEMBL29946580 0.73 CTNNB1 (0.67) CTNNB1IRAK4PARP1MAPTMEN1
SCHEMBL6633359 0.73 CTNNB1 (0.53) CTNNB1IRAK4PARP1MAPTMEN1
SCHEMBL6630926 0.72 CTNNB1 (0.51) CTNNB1IRAK4PARP1MAPTMEN1
SCHEMBL17397069 0.71 CTNNB1 (0.74) CTNNB1IRAK4PARP1MAPTMEN1
SCHEMBL1702138 0.71 CTNNB1 (0.68) CTNNB1IRAK4LMNAHTTKDM4E
SCHEMBL30060692 0.71 CTNNB1 (0.68) CTNNB1IRAK4LMNAHTTKDM4E

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-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP claimed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO claimed