SCHEMBL20468569

SCHEMBL20468569

COc1cc(/C(C#N)=C/c2c[nH]c3ccccc23)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF20A O95235 2/20 0.57
▸ TUBB4A P04350 3/20 0.56
▸ TUBB P07437 3/20 0.56
▸ TUBA3C P0DPH7 3/20 0.56
▸ TUBA1B P68363 3/20 0.56
▸ TUBA4A P68366 3/20 0.56
▸ TUBB4B P68371 3/20 0.56
▸ TUBB3 Q13509 3/20 0.56
▸ TUBB2A Q13885 3/20 0.56
▸ TUBB8 Q3ZCM7 3/20 0.56
▸ TUBA3E Q6PEY2 3/20 0.56
▸ TUBA1A Q71U36 3/20 0.56
▸ TUBA1C Q9BQE3 3/20 0.56
▸ TUBB6 Q9BUF5 3/20 0.56
▸ TUBB2B Q9BVA1 3/20 0.56
▸ TUBB1 Q9H4B7 3/20 0.56
▸ APP P05067 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ NQO1 P15559 1/20 0.50
▸ NQO2 P16083 1/20 0.50

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
SCHEMBL20468563 0.88 KIF20A (0.57) KIF20ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16190121 0.87 KIF20A (0.67) KIF20AAPPPOLBNQO2MEN1
SCHEMBL17556118 0.87 KIF20A (0.67) KIF20AAPPPOLBNQO2MEN1
SCHEMBL11657765 0.81 KIF20A (0.71) KIF20AAPPPOLBMEN1NPC1
SCHEMBL6823782 0.79 TUBB1 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6823793 0.79 TUBB1 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31238100 0.79 TUBB1 (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7823509 0.79 TUBB1 (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7823504 0.79 TUBB1 (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6823787 0.79 TUBB1 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
WO-2018144910-A1 METHODS OF PROTECTING AGAINST NEURODEGENERATION BIOVENTURES, LLC (US) 2018-08-09 — — WO disclosed
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