SCHEMBL30317689

SCHEMBL30317689

O=c1c2ccc(F)cc2n(Cc2ccc(Br)cc2)c(=O)n1CCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 16/20 0.74
▸ HDAC8 Q9BY41 15/20 0.74
▸ HDAC1 Q13547 14/20 0.74
▸ HDAC11 Q96DB2 9/20 0.74
▸ MAPT P10636 2/20 0.57
▸ MELK Q14680 1/20 0.56
▸ PLK1 P53350 1/20 0.51

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
SCHEMBL24247588 0.89 HDAC1 (0.71) HDAC6HDAC8HDAC1HDAC11MAPT
SCHEMBL28354076 0.87 HDAC6 (0.81) HDAC6HDAC8HDAC1HDAC11MAPT
SCHEMBL24031143 0.86 HDAC6 (1.00) HDAC6HDAC8HDAC1HDAC11MELK
SCHEMBL24031395 0.83 HDAC6 (0.72) HDAC6HDAC8HDAC1HDAC11MAPT
SCHEMBL24031068 0.82 HDAC6 (0.74) HDAC6HDAC8HDAC1HDAC11MELK
SCHEMBL30317719 0.82 HDAC6 (0.80) HDAC6HDAC8HDAC1HDAC11MELK
SCHEMBL24031091 0.81 HDAC1 (0.72) HDAC6HDAC8HDAC1HDAC11MAPT
SCHEMBL17242726 0.80 HDAC1 (0.49) HDAC6HDAC8HDAC1HDAC11MAPT
SCHEMBL24247595 0.80 HDAC1 (0.71) HDAC6HDAC8HDAC1HDAC11MAPT
SCHEMBL17241787 0.80 HDAC6 (0.55) HDAC6HDAC8HDAC1HDAC11MAPT

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-110621317-B Inhibitors of Histone Deacetylase (HDACS) 安基生技新药股份有限公司 2023-05-12 — — CN disclosed
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