SCHEMBL27452283

SCHEMBL27452283

O=C(CCCc1cccnc1)Nc1coc(-c2nc3ccccc3s2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.53
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ POLB P06746 2/20 0.52
▸ LMNA P02545 2/20 0.48
▸ MAPT P10636 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ PKM P14618 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ APBA1 Q02410 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ PSMB8 P28062 1/20 0.44

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
SCHEMBL27452347 0.85 NAMPT (0.51) HTTMEN1KMT2APOLBLMNA
SCHEMBL27452151 0.85 MEN1 (0.61) HTTMEN1KMT2APOLBLMNA
SCHEMBL27452420 0.83 HTT (0.55) HTTMEN1KMT2APOLBLMNA
SCHEMBL27453206 0.82 MEN1 (0.57) HTTMEN1KMT2APOLBLMNA
SCHEMBL27452951 0.82 MEN1 (0.60) HTTMEN1KMT2APOLBMAPT
SCHEMBL27451278 0.79 MEN1 (0.62) HTTMEN1KMT2APOLBMAPT
SCHEMBL27452211 0.77 HTT (0.64) HTTMEN1KMT2APOLBLMNA
SCHEMBL27451434 0.77 RAB9A (0.47) HTTMEN1KMT2APOLBLMNA
SCHEMBL27451283 0.77 MAPT (0.49) HTTMEN1KMT2APOLBLMNA
SCHEMBL27452497 0.76 MEN1 (0.61) HTTMEN1KMT2APOLBMAPT

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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