SCHEMBL29176281

SCHEMBL29176281

COc1ccc(-c2cc3c(cn2)[nH]c(=O)n3-c2cc(OC)c(OC)c(OC)c2)cc1O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KATNA1 O75449 1/20 0.64
MAP3K11 Q16584 11/20 0.45
LRRK2 Q5S007 1/20 0.42
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40

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
SCHEMBL30800023 1.00 KATNA1 (0.64) KATNA1MAP3K11LRRK2TUBB4ATUBB
SCHEMBL30799990 0.90 MAP3K11 (0.52) KATNA1MAP3K11LRRK2TUBB4ATUBB
SCHEMBL29176299 0.90 MAP3K11 (0.52) KATNA1MAP3K11LRRK2TUBB4ATUBB
SCHEMBL29176285 0.89 KATNA1 (0.50) KATNA1MAP3K11LRRK2
SCHEMBL30799989 0.88 KATNA1 (0.52) KATNA1MAP3K11LRRK2
SCHEMBL29176283 0.88 KATNA1 (0.52) KATNA1MAP3K11LRRK2
SCHEMBL28475487 0.87 KATNA1 (0.51) KATNA1MAP3K11LRRK2
SCHEMBL28469098 0.86 MAP3K11 (0.53) KATNA1MAP3K11LRRK2
SCHEMBL29176290 0.85 KATNA1 (0.46) KATNA1MAP3K11LRRK2TUBB4ATUBB
SCHEMBL29176307 0.83 KATNA1 (0.47) KATNA1MAP3K11LRRK2TUBB4ATUBB

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-111732584-B Diaryl substituted fused heterocycle compound and preparation method and application thereof in pharmacy 复旦大学 2024-02-27 CN disclosed