SCHEMBL17224367

SCHEMBL17224367

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ INPPL1 O15357 5/20 0.36
▸ INPP5A Q14642 3/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ PTGS1 P23219 2/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ INPP5B P32019 1/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TUBB1 Q9H4B7 1/20 0.34
▸ KCNK3 O14649 1/20 0.34
▸ KCNK9 Q9NPC2 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN2A Q99250 1/20 0.33

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
SCHEMBL17224365 1.00 INPPL1 (0.36) INPPL1INPP5AAKT1PTGS1PTGS2
SCHEMBL18528464 0.95 INPPL1 (0.36) INPPL1INPP5AAKT1PTGS1PTGS2
SCHEMBL18528463 0.95 INPPL1 (0.36) INPPL1INPP5AAKT1PTGS1PTGS2
SCHEMBL18528449 0.91 PTGS1 (0.39) INPPL1INPP5AAKT1PTGS1PTGS2
SCHEMBL18528450 0.91 PTGS1 (0.39) INPPL1INPP5AAKT1PTGS1PTGS2
SCHEMBL17224375 0.88 PTGS1 (0.44) INPPL1INPP5AAKT1PTGS1PTGS2
SCHEMBL18528457 0.81 PTGS1 (0.47) PTGS1PTGS2MEN1KMT2ATUBB1
SCHEMBL17224294 0.81 PTGS1 (0.47) PTGS1PTGS2MEN1KMT2ATUBB1
SCHEMBL18528460 0.77 PTGS2 (0.47) PTGS1PTGS2GSK3BMEN1KMT2A
SCHEMBL17224331 0.76 PTGS1 (0.47) PTGS1PTGS2MEN1KMT2ATUBB1

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 6 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 claimed
US-20170051149-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-02-23 — — US claimed
WO-2015166295-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2015-11-05 — — WO claimed
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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