SCHEMBL29285992

SCHEMBL29285992

COc1ccc(N(C)S(=O)(=O)c2cccc(B(O)O)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 3/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ HDAC3 O15379 1/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC11 Q96DB2 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ HDAC9 Q9UKV0 1/20 0.53
▸ HDAC5 Q9UQL6 1/20 0.53
▸ SIRT2 Q8IXJ6 1/20 0.53
▸ CYP11B1 P15538 1/20 0.52

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
SCHEMBL15953453 0.81 MAPK1 (0.69) PGRL3MBTL1SMN1; SMN2MAPTMAPK1
SCHEMBL10186886 0.81 L3MBTL1 (0.83) PGRL3MBTL1MAPTMAPK1ALDH1A1
SCHEMBL5622356 0.78 PGR (0.79) PGRL3MBTL1MAPTALDH1A1LMNA
SCHEMBL29956809 0.77 RAB9A (0.51) L3MBTL1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL957571 0.77 RAB9A (0.51) L3MBTL1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL27179416 0.76 SIRT2 (0.84) SMN1; SMN2MAPTMAPK1ALDH1A1LMNA
SCHEMBL29956254 0.76 TAS2R14 (0.53) PGRENPP2
SCHEMBL12539143 0.75 MGLL (0.41) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL29951094 0.75 MGLL (0.41) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7267305 0.74 PGR (0.82) PGRL3MBTL1SMN1; SMN2MAPTALDH1A1

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-118339145-A Bicyclic fused ring derivatives or salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-07-12 — — CN disclosed
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