SCHEMBL27453517

SCHEMBL27453517

O=C(CCC1CCC(=O)N1)Nc1ccc(Cc2nc3ccccc3s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 8/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ POLB P06746 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ PSMD14 O00487 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL27451126 0.87 MGLL (0.57) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL27453115 0.76 LMNA (0.56) LMNAMAPTMEN1KMT2APOLB
SCHEMBL27451710 0.76 MAPT (0.52) LMNAMAPTMEN1KMT2APOLB
SCHEMBL27453518 0.75 RAB9A (0.43) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL27453607 0.74 KMT2A (0.44) LMNAMAPTMEN1KMT2APOLB
SCHEMBL27453610 0.74 KMT2A (0.44) LMNAMAPTMEN1KMT2APOLB
SCHEMBL10647117 0.73 BCHE (0.49) LMNAKMT2AALDH1A1NPC1RAB9A
SCHEMBL27452429 0.73 LMNA (0.59) LMNAMAPTMEN1KMT2APOLB
SCHEMBL27452211 0.70 HTT (0.64) LMNAMAPTMEN1KMT2APOLB
SCHEMBL27452291 0.69 LMNA (0.60) LMNAMAPTMEN1KMT2APOLB

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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