SCHEMBL27452211

SCHEMBL27452211

O=C(CCCc1cccnc1)Nc1ccc(Cc2nc3ccccc3s2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.64
▸ POLB P06746 4/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ LMNA P02545 2/20 0.62
▸ MAPT P10636 4/20 0.54
▸ HPGD P15428 3/20 0.52
▸ ATM Q13315 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ PKM P14618 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NAMPT P43490 2/20 0.48

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
SCHEMBL27452151 0.86 MEN1 (0.61) HTTPOLBMEN1KMT2ALMNA
SCHEMBL27452951 0.83 MEN1 (0.60) HTTPOLBMEN1KMT2AMAPT
SCHEMBL27452291 0.83 LMNA (0.60) HTTPOLBMEN1KMT2ALMNA
SCHEMBL27453206 0.82 MEN1 (0.57) HTTPOLBMEN1KMT2ALMNA
SCHEMBL27451278 0.80 MEN1 (0.62) HTTPOLBMEN1KMT2AMAPT
SCHEMBL27452429 0.79 LMNA (0.59) HTTPOLBMEN1KMT2ALMNA
SCHEMBL27452283 0.77 HTT (0.53) HTTPOLBMEN1KMT2ALMNA
SCHEMBL6034952 0.77 LMNA (1.00) HTTPOLBMEN1KMT2ALMNA
SCHEMBL27453115 0.77 LMNA (0.56) POLBMEN1KMT2ALMNAMAPT
SCHEMBL27452497 0.75 MEN1 (0.61) HTTPOLBMEN1KMT2AMAPT

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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