SCHEMBL27452867

SCHEMBL27452867

CC(=O)NCCCC(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.69
▸ HDAC2 Q92769 5/20 0.69
▸ HDAC6 Q9UBN7 5/20 0.69
▸ HDAC3 O15379 5/20 0.69
▸ HDAC4 P56524 4/20 0.69
▸ HDAC7 Q8WUI4 4/20 0.69
▸ HDAC10 Q969S8 4/20 0.69
▸ HDAC11 Q96DB2 4/20 0.69
▸ HDAC8 Q9BY41 4/20 0.69
▸ HDAC9 Q9UKV0 4/20 0.69
▸ HDAC5 Q9UQL6 4/20 0.69
▸ PARP1 P09874 1/20 0.61
▸ MAPT P10636 2/20 0.61
▸ ELOVL1 Q9BW60 1/20 0.60
▸ MAPK1 P28482 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ ALOX15 P16050 1/20 0.59

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
SCHEMBL24359341 0.95 HDAC1 (0.77) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL30444296 0.85 HDAC1 (0.80) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL24359677 0.85 HDAC1 (0.78) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL17107235 0.84 HDAC1 (0.77) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL5849033 0.84 MAPK1 (0.79) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL29516444 0.83 HDAC1 (0.72) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL27452889 0.83 MAPT (0.61) MAPTMAPK1RAB9AALDH1A1PKM
SCHEMBL24359678 0.83 HDAC1 (0.72) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL11479812 0.83 HDAC1 (0.80) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL17107157 0.83 HDAC1 (0.80) HDAC1HDAC2HDAC6HDAC3HDAC4

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-2024145662-A1 2-SUBSTITUTED THIAZOLE AND BENZOTHIAZOLE COMPOSITIONS AND METHODS AS DUX4 INHIBITORS ALTAY THERAPEUTICS, INC. (US) 2024-07-04 — — WO disclosed
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