SCHEMBL28862938

SCHEMBL28862938

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ EGFR P00533 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ TUBB4A P04350 2/20 0.43
▸ TUBB P07437 2/20 0.43
▸ TUBA3C P0DPH7 2/20 0.43
▸ TUBA1B P68363 2/20 0.43
▸ TUBA4A P68366 2/20 0.43

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) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL28239032 0.85 MAPT (0.52) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL8116052 0.85 MAPT (0.52) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL8132637 0.85 MEN1 (0.68) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL28239033 0.84 MAPT (0.52) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL8118305 0.84 KIF20A (0.54) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL11822409 0.82 MEN1 (0.67) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL11822393 0.82 MEN1 (0.67) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL8107384 0.79 MEN1 (0.52) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL8130453 0.78 MAPT (0.53) MAPTMEN1KMT2AGAASMN1; SMN2

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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