SCHEMBL4564455

SCHEMBL4564455

Cc1cc(-n2ccnn2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 13/20 0.58
KEAP1 Q14145 1/20 0.47
CYP19A1 P11511 1/20 0.43
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE10A Q9Y233 1/20 0.37
F9 P00740 1/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37

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
SCHEMBL15889924 0.84 NOTUM (0.63) NOTUMKEAP1CYP19A1
SCHEMBL30413228 0.84 NOTUM (0.63) NOTUMKEAP1CYP19A1
SCHEMBL4482463 0.81 NOTUM (0.54) NOTUMKEAP1CYP19A1
SCHEMBL16787394 0.79 NOTUM (0.58) NOTUMKEAP1CYP19A1
SCHEMBL13735664 0.79 NOTUM (0.58) NOTUMKEAP1CYP19A1
SCHEMBL18016687 0.78 NOTUM (0.51) NOTUMKEAP1CYP19A1TDP1
SCHEMBL20437909 0.77 NOTUM (0.58) NOTUMKEAP1CYP19A1
SCHEMBL13629601 0.77 NOTUM (0.58) NOTUMKEAP1CYP19A1
SCHEMBL4557446 0.76 CYP19A1 (0.48) NOTUMKEAP1CYP19A1
SCHEMBL15520028 0.76 NOTUM (0.50) NOTUMKEAP1CYP19A1TDP1

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-2010495-A2 NEW HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF Mutabilis SA (FR) 2009-01-07 EP disclosed
WO-2007135562-A2 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF MUTABILIS S.A. (FR) 2007-11-29 WO disclosed