SCHEMBL31589747

SCHEMBL31589747

COc1ccc(-c2cn(C)c(=O)c3c2ccn3S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 7/20 0.55
▸ IDO1 P14902 4/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HTR6 P50406 3/20 0.40
▸ ELAVL1 Q15717 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PTGS2 P35354 1/20 0.39

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
SCHEMBL31590329 0.89 BRD4 (0.45) BRD4IDO1L3MBTL1MAPTKDM4E
SCHEMBL31590648 0.87 BRD4 (0.70) BRD4L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL31589671 0.87 BRD4 (0.56) BRD4L3MBTL1MEN1KMT2AHTR6
SCHEMBL17755641 0.85 BRD4 (0.52) BRD4L3MBTL1
SCHEMBL31590455 0.84 BRD4 (0.58) BRD4L3MBTL1KDM4EHTR6
SCHEMBL31590489 0.83 BRD4 (0.56) BRD4L3MBTL1HTR6PTGS2
SCHEMBL29455967 0.82 BRD4 (0.48) BRD4IDO1MAPTLMNA
SCHEMBL17756338 0.81 BRD4 (0.52) BRD4L3MBTL1LMNA
SCHEMBL27214855 0.81 BRD4 (0.45) BRD4MAPTMEN1ALDH1A1KMT2A
SCHEMBL27214885 0.81 BRD4 (0.45) BRD4IDO1MAPTHTR6LMNA

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
CN-120040445-A Heterocyclopyridine-7-one compound and medical application thereof 浙江大学金华研究院 2025-05-27 — — CN disclosed
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