SCHEMBL17224330

SCHEMBL17224330

COc1cc(/N=N/c2ccc(OC(F)(F)F)c(O)c2)cc(OC)c1OC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.47
▸ MEN1 O00255 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PTGS2 P35354 2/20 0.41
▸ MAPT P10636 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ TUBB1 Q9H4B7 7/20 0.36
▸ TUBB4A P04350 5/20 0.36
▸ TUBB P07437 5/20 0.36
▸ TUBA3C P0DPH7 5/20 0.36

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
SCHEMBL17224331 1.00 PTGS1 (0.47) PTGS1MEN1GAAKMT2AL3MBTL1
SCHEMBL17224380 0.96 PTGS1 (0.51) PTGS1MEN1GAAKMT2AL3MBTL1
SCHEMBL17224381 0.96 PTGS1 (0.51) PTGS1MEN1GAAKMT2AL3MBTL1
SCHEMBL18528457 0.94 PTGS1 (0.47) PTGS1MEN1GAAKMT2AL3MBTL1
SCHEMBL17224294 0.94 PTGS1 (0.47) PTGS1MEN1GAAKMT2AL3MBTL1
SCHEMBL18528463 0.81 INPPL1 (0.36) PTGS1MEN1GAAKMT2AL3MBTL1
SCHEMBL18528464 0.81 INPPL1 (0.36) PTGS1MEN1GAAKMT2AL3MBTL1
SCHEMBL17224345 0.81 PTGS1 (0.59) PTGS1MEN1GAAKMT2AL3MBTL1
SCHEMBL18540717 0.81 PTGS1 (0.59) PTGS1MEN1GAAKMT2AL3MBTL1
SCHEMBL17224400 0.81 PTGS1 (0.59) PTGS1MEN1GAAKMT2AL3MBTL1

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 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
US-20170051149-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-02-23 — — US disclosed
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