SCHEMBL17224304

SCHEMBL17224304

COc1cc(N=Nc2ccc(O)c(Br)c2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ PTGS1 P23219 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ TUBB1 Q9H4B7 4/20 0.40
▸ TUBB4A P04350 3/20 0.40
▸ TUBB P07437 3/20 0.40
▸ TUBA3C P0DPH7 3/20 0.40

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
SCHEMBL17224302 1.00 PTGS2 (0.51) PTGS2MEN1GAAKMT2AL3MBTL1
SCHEMBL18540753 0.90 PTGS2 (0.46) PTGS2MEN1GAAKMT2AL3MBTL1
SCHEMBL17224276 0.85 TUBB1 (0.53) PTGS2MEN1GAAKMT2AL3MBTL1
SCHEMBL17224277 0.85 TUBB1 (0.53) PTGS2MEN1GAAKMT2AL3MBTL1
SCHEMBL17224400 0.82 PTGS1 (0.59) MEN1GAAKMT2AL3MBTL1NPC1
SCHEMBL17224345 0.82 PTGS1 (0.59) MEN1GAAKMT2AL3MBTL1NPC1
SCHEMBL18540717 0.82 PTGS1 (0.59) MEN1GAAKMT2AL3MBTL1NPC1
SCHEMBL17224340 0.81 MEN1 (0.50) PTGS2MEN1GAAKMT2AL3MBTL1
SCHEMBL17224339 0.81 MEN1 (0.50) PTGS2MEN1GAAKMT2AL3MBTL1
SCHEMBL20429127 0.79 L3MBTL1 (0.58) PTGS2MEN1GAAKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3137554-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS Ecole Normale Superieure De Lyon (FR) 2017-03-08 — — EP disclosed
US-20170051149-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-02-23 — — US disclosed
WO-2015166295-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2015-11-05 — — WO disclosed
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