SCHEMBL29023301

SCHEMBL29023301

CC(=O)c1ccc2ccccc2c1C1Sc2ccccc2N1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ BCHE P06276 3/20 0.39
▸ WDR5 P61964 1/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL11886347 0.80 KDM4E (0.44) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL28758480 0.79 KDM4E (0.41) KDM4EBCHEHDAC3HDAC4HDAC1
SCHEMBL27645758 0.76 BCHE (0.39) KDM4EBCHEHDAC4HDAC7HDAC5
SCHEMBL3738688 0.70 MAPT (0.47) BCHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL29054168 0.70 BCHE (0.47) KDM4EBCHEHDAC3HDAC4HDAC1
Bromide SCHEMBL27619257 0.69 MAPT (0.46) BCHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL19267117 0.69 KDM4E (0.44) KDM4EBCHEHDAC3HDAC4HDAC1
SCHEMBL15947423 0.69 SMN1; SMN2 (0.35) KDM4EBCHEHDAC3HDAC4HDAC1
SCHEMBL19061114 0.66 KDM4E (0.37) KDM4EBCHEALDH1A1MAPTHPGD
SCHEMBL19675523 0.66 NOX1 (0.44) BCHEHDAC4HDAC7HDAC5MEN1

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-116348501-A Liquid crystal composition, method for manufacturing liquid crystal display element, and liquid crystal display element 日产化学株式会社 2023-06-27 — — CN disclosed
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