SCHEMBL18528463

SCHEMBL18528463

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INPPL1 O15357 8/20 0.36
▸ INPP5A Q14642 4/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ PTGS1 P23219 2/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ INPP5B P32019 2/20 0.36
▸ KCNK3 O14649 1/20 0.34
▸ KCNK9 Q9NPC2 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HTR3D Q70Z44 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
SCHEMBL18528464 1.00 INPPL1 (0.36) INPPL1INPP5AAKT1PTGS1PTGS2
SCHEMBL18528449 0.96 PTGS1 (0.39) INPPL1INPP5AAKT1PTGS1PTGS2
SCHEMBL18528450 0.96 PTGS1 (0.39) INPPL1INPP5AAKT1PTGS1PTGS2
SCHEMBL17224367 0.95 INPPL1 (0.36) INPPL1INPP5AAKT1PTGS1PTGS2
SCHEMBL17224365 0.95 INPPL1 (0.36) INPPL1INPP5AAKT1PTGS1PTGS2
SCHEMBL17224375 0.83 PTGS1 (0.44) INPPL1INPP5AAKT1PTGS1PTGS2
SCHEMBL17224331 0.81 PTGS1 (0.47) PTGS1PTGS2MEN1GAAKMT2A
SCHEMBL17224330 0.81 PTGS1 (0.47) PTGS1PTGS2MEN1GAAKMT2A
SCHEMBL17224381 0.79 PTGS1 (0.51) PTGS1PTGS2MEN1GAAKMT2A
SCHEMBL17224380 0.79 PTGS1 (0.51) PTGS1PTGS2MEN1GAAKMT2A

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

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