SCHEMBL29176277

SCHEMBL29176277

CNC(=O)c1nc(-c2ccc(OC)c(O)c2)cc2c1[nH]c(=O)n2-c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KATNA1 O75449 1/20 0.80
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MAP3K11 Q16584 5/20 0.41
TUBB4A P04350 3/20 0.40
TUBB P07437 3/20 0.40
TUBA3C P0DPH7 3/20 0.40
TUBA1B P68363 3/20 0.40
TUBA4A P68366 3/20 0.40
TUBB4B P68371 3/20 0.40
TUBB3 Q13509 3/20 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
SCHEMBL30800000 1.00 KATNA1 (0.80) KATNA1HDAC3HDAC4HDAC1HDAC7
SCHEMBL28478712 0.91 KATNA1 (0.78) KATNA1HDAC3HDAC4HDAC1HDAC7
SCHEMBL30800072 0.89 KATNA1 (1.00) KATNA1MAP3K11CSNK2A2CSNK2BCSNK2A1
SCHEMBL29176296 0.89 KATNA1 (1.00) KATNA1MAP3K11CSNK2A2CSNK2BCSNK2A1
SCHEMBL29176303 0.79 KATNA1 (0.82) KATNA1MAP3K11CSNK2A2CSNK2BCSNK2A1
SCHEMBL30799984 0.79 KATNA1 (0.82) KATNA1MAP3K11CSNK2A2CSNK2BCSNK2A1
SCHEMBL29176274 0.79 KATNA1 (0.80) KATNA1MAP3K11CSNK2A2CSNK2BCSNK2A1
SCHEMBL30800011 0.79 KATNA1 (0.80) KATNA1MAP3K11CSNK2A2CSNK2BCSNK2A1
SCHEMBL30800023 0.76 KATNA1 (0.64) KATNA1MAP3K11TUBB4ATUBBTUBA3C
SCHEMBL29176281 0.76 KATNA1 (0.64) KATNA1MAP3K11TUBB4ATUBBTUBA3C

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