SCHEMBL23720784

SCHEMBL23720784

Oc1cc(O)c2cc3c(O)cc(O)cc3cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.54
BACE1 P56817 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
NQO1 P15559 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
SIRT1 Q96EB6 2/20 0.33
ANTXR2 P58335 1/20 0.33
FASN P49327 1/20 0.33
TRPM4 Q8TD43 1/20 0.33
GLO1 Q04760 4/20 0.32
CD38 P28907 2/20 0.32
OR51E2 Q9H255 2/20 0.32

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
SCHEMBL23817461 0.92 NQO2 (0.48) NQO2BACE1CA1CA2CA4
SCHEMBL8755507 0.86 ALDH1A1 (0.44) NQO2CA1CA2CA4CA7
SCHEMBL7792072 0.86 NQO2 (0.52) NQO2BACE1NQO1TDP1MEN1
SCHEMBL2515510 0.83 NQO2 (0.68) NQO2MEN1HPGDKMT2ATRPM4
SCHEMBL28513210 0.81 NQO2 (0.65) NQO2TDP1MEN1HPGDKMT2A
SCHEMBL3169959 0.81 NQO2 (0.65) NQO2TDP1MEN1HPGDKMT2A
SCHEMBL30376894 0.81 NQO2 (0.65) NQO2TDP1MEN1HPGDKMT2A
SCHEMBL31048179 0.79 NQO2 (0.46) NQO2BACE1CA1CA9NQO1
SCHEMBL31037122 0.78 NQO2 (0.62) NQO2CA1CA2CA4CA7
SCHEMBL677189 0.78 NQO2 (0.62) NQO2CA1CA2CA4CA7

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
US-20210284788-A1 THERMALLY CONDUCTIVE MATERIAL-FORMING COMPOSITION, THERMALLY CONDUCTIVE MATERIAL, THERMALLY CONDUCTIVE SHEET, DEVICE WITH THERMALLY CONDUCTIVE LAYER, AND FILM FUJIFILM CORPORATION (JP) 2021-09-16 US disclosed
EP-3858885-A1 COMPOSITION FOR FORMING HEAT CONDUCTIVE MATERIALS, HEAT CONDUCTIVE MATERIAL, HEAT CONDUCTIVE SHEET, DEVICE WITH HEAT CONDUCTIVE LAYER, AND FILM FUJIFILM Corporation (JP) 2021-08-04 EP disclosed