SCHEMBL27452496

SCHEMBL27452496

O=C(CCCN1C(=O)CCC1=O)Nc1nc2ccccc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.65
▸ HDAC1 Q13547 2/20 0.62
▸ HDAC2 Q92769 2/20 0.62
▸ HDAC3 O15379 1/20 0.62
▸ HDAC4 P56524 1/20 0.62
▸ HDAC7 Q8WUI4 1/20 0.62
▸ HDAC10 Q969S8 1/20 0.62
▸ HDAC11 Q96DB2 1/20 0.62
▸ HDAC8 Q9BY41 1/20 0.62
▸ HDAC6 Q9UBN7 1/20 0.62
▸ HDAC9 Q9UKV0 1/20 0.62
▸ HDAC5 Q9UQL6 1/20 0.62
▸ POLB P06746 1/20 0.60
▸ MAPT P10636 3/20 0.60
▸ DRD2 P14416 2/20 0.56
▸ DRD3 P35462 2/20 0.56
▸ ALDH1A1 P00352 5/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55

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
SCHEMBL2782362 0.80 DRD2 (0.64) ADORA2AHDAC1HDAC2HDAC3HDAC4
SCHEMBL6227275 0.79 MAPT (0.73) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL11887784 0.79 POLB (0.84) ADORA2AHDAC1HDAC2HDAC3HDAC4
SCHEMBL8234055 0.78 HDAC1 (0.79) ADORA2AHDAC1HDAC2HDAC3HDAC4
SCHEMBL10695859 0.78 MAPT (0.75) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3239389 0.78 POLB (0.82) ADORA2AHDAC1HDAC2HDAC3HDAC4
SCHEMBL5070926 0.77 POLB (0.76) ADORA2AHDAC1HDAC2HDAC3HDAC4
SCHEMBL19287153 0.77 POLB (0.71) ADORA2AHDAC1HDAC2HDAC3HDAC4
SCHEMBL20369717 0.77 MAPT (0.77) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL19771114 0.76 POLB (0.74) ADORA2AHDAC1HDAC2HDAC3HDAC4

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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