SCHEMBL9729361

SCHEMBL9729361

O=C(c1cccc(O)c1)c1cccc(O)c1.O=C(c1ccccc1)c1cc(O)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
USP2 O75604 1/20 0.62
GAA P10253 1/20 0.62
KEAP1 Q14145 1/20 0.62
NFE2L2 Q16236 1/20 0.62
FASN P49327 1/20 0.57
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
CLK1 P49759 1/20 0.56
DYRK1A Q13627 1/20 0.56
DYRK1B Q9Y463 1/20 0.56
ATM Q13315 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HSD17B1 P14061 5/20 0.54
HSD17B2 P37059 5/20 0.54
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52

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
SCHEMBL7713698 0.93 FASN (0.59) MEN1KMT2AUSP2GAAKEAP1
SCHEMBL2868140 0.91 MEN1 (0.72) MEN1KMT2AUSP2GAAKEAP1
SCHEMBL29457566 0.91 MEN1 (0.72) MEN1KMT2AUSP2GAAKEAP1
SCHEMBL9619552 0.86 LIG1 (0.65) MEN1KMT2AUSP2GAAKEAP1
SCHEMBL144795 0.86 ATM (0.74) MEN1KMT2AUSP2GAAKEAP1
SCHEMBL22717015 0.84 MEN1 (0.70) MEN1KMT2AUSP2GAAKEAP1
SCHEMBL28605264 0.83 CA12 (0.67) MEN1KMT2AUSP2GAAKEAP1
SCHEMBL1758482 0.82 LIG1 (0.63) MEN1KMT2AUSP2GAAKEAP1
SCHEMBL7551892 0.82 CA12 (0.61) MEN1KMT2AUSP2GAAKEAP1
SCHEMBL189236 0.80 CLK1 (0.75) MEN1KMT2AFASNRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162510-A Prepared by condensing phenolic compounds with a 1,2-naphthoquinonediazide-4-sulfonic acid halide and an organic acid halide HOECHST CELANESE CORPORATION (US) 1992-11-10 US disclosed