SCHEMBL28248359

SCHEMBL28248359

COc1cc(/C(C#N)=C/c2ccc(C)cc2)cc(OC)c1OC

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 7/20 0.80
▸ TUBB4A P04350 6/20 0.80
▸ TUBB P07437 6/20 0.80
▸ TUBA3C P0DPH7 6/20 0.80
▸ TUBA1B P68363 6/20 0.80
▸ TUBA4A P68366 6/20 0.80
▸ TUBB4B P68371 6/20 0.80
▸ TUBB3 Q13509 6/20 0.80
▸ TUBB2A Q13885 6/20 0.80
▸ TUBB8 Q3ZCM7 6/20 0.80
▸ TUBA3E Q6PEY2 6/20 0.80
▸ TUBA1A Q71U36 6/20 0.80
▸ TUBA1C Q9BQE3 6/20 0.80
▸ TUBB6 Q9BUF5 6/20 0.80
▸ TUBB2B Q9BVA1 6/20 0.80
▸ NQO1 P15559 1/20 0.63
▸ NQO2 P16083 1/20 0.63

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
SCHEMBL28248826 1.00 TUBB1 (0.80) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31238495 0.89 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4996056 0.89 TUBB4A (0.80) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4996052 0.89 TUBB4A (0.80) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17141349 0.86 TUBB4A (0.76) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5191750 0.86 TUBB4A (0.76) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8398862 0.86 TUBB4A (0.59) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8398858 0.86 TUBB4A (0.59) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18889659 0.86 TUBB4A (0.80) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28248859 0.84 TUBB1 (0.72) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108727222-B TYD1608 with selective anticancer activity and preparation and application thereof 延边大学 2020-12-08 — — CN claimed
CN-108727222-A A kind of TYD1608 and its preparation and purposes of selectivity active anticancer 延边大学 2018-11-02 — — CN claimed
CN-108727222-B TYD1608 with selective anticancer activity and preparation and application thereof 延边大学 2020-12-08 — — CN disclosed
CN-108727222-B TYD1608 with selective anticancer activity and preparation and application thereof 延边大学 2020-12-08 — — CN disclosed
CN-108727222-A A kind of TYD1608 and its preparation and purposes of selectivity active anticancer 延边大学 2018-11-02 — — CN disclosed
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