SCHEMBL31589913

SCHEMBL31589913

Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5c(c4)OCO5)cn(C)c(=O)c32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 7/20 0.51
▸ MAPT P10636 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PTGS2 P35354 4/20 0.40
▸ PKM P14618 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL31590489 0.83 BRD4 (0.56) BRD4PTGS2PTGS1L3MBTL1
SCHEMBL31590455 0.82 BRD4 (0.58) BRD4CA2KDM4EL3MBTL1
SCHEMBL31589671 0.80 BRD4 (0.56) BRD4PTGS2MEN1KMT2AMAPK14
SCHEMBL31590648 0.80 BRD4 (0.70) BRD4PTGS2PKMMEN1KMT2A
SCHEMBL31589806 0.79 BRD4 (0.58) BRD4TP53PTGS2PTGS1L3MBTL1
SCHEMBL31589747 0.79 BRD4 (0.55) BRD4MAPTPTGS2MEN1KMT2A
SCHEMBL8269815 0.78 HTR6 (0.52) MAPTSMN1; SMN2TP53PTGS2PKM
SCHEMBL17748867 0.77 BRD4 (0.49) BRD4MAPTSMN1; SMN2PTGS2MEN1
SCHEMBL29455999 0.76 BRD4 (0.60) BRD4MEN1KMT2AALDH1A1TSHR
SCHEMBL29455859 0.76 BRD4 (0.55) BRD4SMN1; SMN2PKMALDH1A1LMNA

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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