SCHEMBL2719795

SCHEMBL2719795

N=C(N)C(=Cc1cc(O)cc(O)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.54
AKR1C1 Q04828 1/20 0.42
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
F12 P00748 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 6/20 0.41
PTGS2 P35354 4/20 0.41
KDM1A O60341 1/20 0.40
BLM P54132 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
C1S P09871 1/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL7714067 0.83 AKR1C1 (0.59) AKR1C1F2F10F12F7
SCHEMBL2720851 0.78 NQO2 (0.47) NQO2PTGS1PTGS2KDM1A
SCHEMBL19433105 0.74 PTGS1 (0.47) NQO2PTGS1PTGS2MAPTKMT2A
SCHEMBL3811778 0.71 PTGS1 (0.75) NQO2PTGS1PTGS2
SCHEMBL3811776 0.71 PTGS1 (0.75) NQO2PTGS1PTGS2
SCHEMBL5183566 0.71 PTGS1 (0.49) NQO2PTGS1PTGS2
SCHEMBL9280210 0.70 AKR1C1 (0.61) AKR1C1PTGS2MAPTKMT2AMEN1
SCHEMBL15285768 0.68 NQO2 (0.51) NQO2PTGS1PTGS2
SCHEMBL30096044 0.68 NQO2 (0.61) NQO2AKR1C1PTGS1PTGS2KMT2A
SCHEMBL80025 0.66 AKR1C1 (0.74) AKR1C1PTGS2MAPTKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014004339-A2 METHOD FOR STIMULATING CELLULAR BETA DEFENSINS ELC MANAGEMENT LLC (US) 2014-01-03 WO disclosed
EP-2445511-A2 SKIN REPAIR COMPOSITIONS COMPRISING CIRCADIAN GENE ACTIVATORS AND A SYNERGISTIC COMBINATION OF SIRT1 GENE ACTIVATORS ELC Management LLC (US) 2012-05-02 EP disclosed
EP-2192889-A2 COSMETIC METHODS AND COMPOSITIONS FOR REPAIRING HUMAN SKIN ELC Management LLC (US) 2010-06-09 EP disclosed
WO-2009023416-A2 COSMETIC METHODS AND COMPOSITIONS FOR REPAIRING HUMAN SKIN ELC MANAGEMENT LLC (US) 2009-02-19 WO disclosed