SCHEMBL27453115

SCHEMBL27453115

O=C(CCCN1C(=O)CCC1=O)Nc1ccc(Cc2nc3ccccc3s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.56
▸ MAPT P10636 7/20 0.54
▸ MEN1 O00255 7/20 0.51
▸ KMT2A Q03164 7/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ POLB P06746 3/20 0.50
▸ PSMD14 O00487 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.48
▸ USP2 O75604 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL27451123 0.86 RAB9A (0.68) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL27451710 0.83 MAPT (0.52) LMNAMAPTMEN1KMT2ANPC1
SCHEMBL27452496 0.81 ADORA2A (0.65) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL27453398 0.81 HPGD (0.54) LMNAMAPTMEN1KMT2ANPC1
SCHEMBL27453119 0.80 KMT2A (0.45) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL27451116 0.80 RAB9A (0.77) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL27452429 0.79 LMNA (0.59) LMNAMAPTMEN1KMT2ANPC1
SCHEMBL27452583 0.79 HPGD (0.57) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL27452211 0.77 HTT (0.64) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL27452349 0.76 NPC1 (0.55) LMNAMAPTMEN1KMT2ANPC1

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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