SCHEMBL28239033

SCHEMBL28239033

COc1cc(OC)c(/C(C#N)=C/c2cccc(F)c2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ NFE2L2 Q16236 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ RECQL P46063 2/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ CLK1 P49759 2/20 0.46
▸ DYRK1A Q13627 2/20 0.46
▸ KIF20A O95235 1/20 0.46
▸ AKR1C2 P52895 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL8134746 0.85 MAPT (0.53) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL8122555 0.85 MEN1 (0.52) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL28238026 0.85 MEN1 (0.52) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL8132637 0.85 MEN1 (0.68) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL28862938 0.84 MAPT (0.52) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL8118305 0.84 KIF20A (0.54) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL4998911 0.83 RECQL (0.55) MAPTMEN1KMT2AALDH1A1PTGS1
SCHEMBL4998908 0.83 RECQL (0.55) MAPTMEN1KMT2AALDH1A1PTGS1
SCHEMBL11822393 0.82 MEN1 (0.67) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL11822409 0.82 MEN1 (0.67) MAPTMEN1KMT2AGAAALDH1A1

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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