SCHEMBL4828762

SCHEMBL4828762

Cc1cc2c(c(-c3cccc(Cl)c3Cl)c1)OC(CCNc1ccccc1)C2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.42
NUDT1 P36639 1/20 0.32
PIK3CD O00329 2/20 0.31
EZH2 Q15910 1/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
SIRT2 Q8IXJ6 2/20 0.31
ALOX15 P16050 1/20 0.30
ICMT O60725 1/20 0.30

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
SCHEMBL4768198 0.83 AQP1 (0.42) AQP1NUDT1EZH2PRKAB2PRKAG1
SCHEMBL4963529 0.80 AQP1 (0.50) AQP1NUDT1EZH2PRKAB2PRKAG1
SCHEMBL5140857 0.76 AQP1 (0.42) AQP1EZH2SIRT2
SCHEMBL4235651 0.76 AQP1 (0.45) AQP1EZH2PRKAB2PRKAG1PRKAA2
SCHEMBL4235648 0.74 AQP1 (0.60) AQP1EZH2
SCHEMBL4595484 0.73 AQP1 (0.51) AQP1EZH2SIRT2
SCHEMBL4226327 0.73 AQP1 (0.55) AQP1EZH2PRKAB2PRKAG1PRKAA2
SCHEMBL4768274 0.72 AQP1 (0.57) AQP1EZH2PRKAB2PRKAG1PRKAA2
SCHEMBL4225698 0.71 AQP1 (0.54) AQP1EZH2PRKAB2PRKAG1PRKAA2
SCHEMBL4230140 0.71 AQP1 (0.45) AQP1EZH2PRKAB2PRKAG1PRKAA2

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-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP disclosed
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO disclosed