SCHEMBL27453398

SCHEMBL27453398

CN(C(=O)CCCN1C(=O)CCC1=O)c1ccc(Cc2nc3ccccc3s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.54
▸ GAA P10253 2/20 0.54
▸ ALDH1A1 P00352 5/20 0.42
▸ POLB P06746 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL27453018 0.87 PAX8 (0.53) HPGDGAAALDH1A1POLBKDM4E
SCHEMBL27453115 0.81 LMNA (0.56) ALDH1A1POLBKDM4ELMNAMEN1
SCHEMBL27451960 0.81 PAX8 (0.54) HPGDGAAALDH1A1KDM4ELMNA
SCHEMBL27453119 0.77 KMT2A (0.45) HPGDGAAALDH1A1POLBKDM4E
SCHEMBL27453023 0.74 APP (0.43) ALDH1A1POLBKDM4ELMNAKMT2A
SCHEMBL27452583 0.73 HPGD (0.57) HPGDALDH1A1POLBKDM4ELMNA
SCHEMBL5308738 0.71 HPGD (1.00) HPGDGAAALDH1A1POLBLMNA
SCHEMBL27453112 0.71 ALDH1A1 (0.42) GAAALDH1A1POLBLMNAMEN1
SCHEMBL27452585 0.70 RAB9A (0.58) HPGDGAAALDH1A1POLBKDM4E
SCHEMBL27452496 0.69 ADORA2A (0.65) HPGDALDH1A1POLBKDM4EMEN1

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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