SCHEMBL17224375

SCHEMBL17224375

COc1ccc(N=Nc2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.44
▸ PTGS2 P35354 2/20 0.44
▸ INPPL1 O15357 5/20 0.43
▸ INPP5A Q14642 3/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ INPP5B P32019 1/20 0.43
▸ HTR3E A5X5Y0 1/20 0.41
▸ HTR3B O95264 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ HTR3D Q70Z44 1/20 0.41
▸ HTR3C Q8WXA8 1/20 0.41
▸ SCN5A Q14524 1/20 0.40
▸ SCN2A Q99250 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL17224365 0.88 INPPL1 (0.36) PTGS1PTGS2INPPL1INPP5AAKT1
SCHEMBL17224367 0.88 INPPL1 (0.36) PTGS1PTGS2INPPL1INPP5AAKT1
SCHEMBL18528460 0.88 PTGS2 (0.47) PTGS1PTGS2HTR3EHTR3BHTR3A
SCHEMBL18528449 0.87 PTGS1 (0.39) PTGS1PTGS2INPPL1INPP5AAKT1
SCHEMBL18528450 0.87 PTGS1 (0.39) PTGS1PTGS2INPPL1INPP5AAKT1
SCHEMBL17224329 0.85 PTGS2 (0.48) PTGS1PTGS2HTR3EHTR3BHTR3A
SCHEMBL17224275 0.85 PTGS2 (0.48) PTGS1PTGS2HTR3EHTR3BHTR3A
SCHEMBL18528464 0.83 INPPL1 (0.36) PTGS1PTGS2INPPL1INPP5AAKT1
SCHEMBL18528463 0.83 INPPL1 (0.36) PTGS1PTGS2INPPL1INPP5AAKT1
SCHEMBL17224266 0.82 PTGS1 (0.56) PTGS1PTGS2HTR3EHTR3BHTR3A

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
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
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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