SCHEMBL28238026

SCHEMBL28238026

COc1cc(OC)c(/C(C#N)=C/c2ccc(F)cc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ GAA P10253 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.49
▸ PTPN7 P35236 1/20 0.49
▸ PTPN12 Q05209 1/20 0.49
▸ PTPN22 Q9Y2R2 1/20 0.49
▸ TUBB4A P04350 3/20 0.49
▸ TUBB P07437 3/20 0.49
▸ TUBA3C P0DPH7 3/20 0.49
▸ TUBA1B P68363 3/20 0.49
▸ TUBA4A P68366 3/20 0.49
▸ TUBB4B P68371 3/20 0.49
▸ TUBB3 Q13509 3/20 0.49
▸ TUBB2A Q13885 3/20 0.49
▸ TUBB8 Q3ZCM7 3/20 0.49
▸ TUBA3E Q6PEY2 3/20 0.49
▸ TUBA1A Q71U36 3/20 0.49
▸ TUBA1C Q9BQE3 3/20 0.49

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
SCHEMBL8122555 1.00 MEN1 (0.52) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL8130453 0.87 MAPT (0.53) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL8124060 0.86 MEN1 (0.52) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL8135923 0.86 MAPT (0.52) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL28239032 0.86 MAPT (0.52) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL8116052 0.86 MAPT (0.52) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL8132637 0.85 MEN1 (0.68) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL28239033 0.85 MAPT (0.52) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL8122814 0.85 GAA (0.49) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL829253 0.84 TUBB1 (0.68) MEN1MAPTKMT2AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108503561-A The preparation of the combretastatin A4 analogs of cyano-containing and halogen and purposes 延边大学 2018-09-07 — — CN disclosed
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