SCHEMBL29285658

SCHEMBL29285658

COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1B(O)O

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
GPBAR1 Q8TDU6 1/20 0.59
KDM4E B2RXH2 2/20 0.59
TSHR P16473 1/20 0.59
LMNA P02545 2/20 0.57
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
PKM P14618 1/20 0.53
MCOLN3 Q8TDD5 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
SCHEMBL3124612 0.85 TSHR (0.62) L3MBTL1KDM4ETSHRLMNAALDH1A1
SCHEMBL8263589 0.83 LMNA (0.81) L3MBTL1GPBAR1KDM4ETSHRLMNA
SCHEMBL16372111 0.82 L3MBTL1 (0.68) L3MBTL1GPBAR1KDM4ETSHRLMNA
SCHEMBL1645604 0.81 APEX1 (0.72) L3MBTL1GPBAR1KDM4ETSHRLMNA
SCHEMBL16689151 0.80 L3MBTL1 (0.65) L3MBTL1GPBAR1KDM4ETSHRLMNA
SCHEMBL23144453 0.79 ALDH1A1 (0.73) L3MBTL1GPBAR1KDM4ETSHRLMNA
SCHEMBL1491825 0.79 L3MBTL1 (0.72) L3MBTL1GPBAR1KDM4ETSHRLMNA
SCHEMBL29811463 0.79 ALDH1A1 (0.73) L3MBTL1GPBAR1KDM4ETSHRLMNA
SCHEMBL4184681 0.79 GPBAR1 (0.90) L3MBTL1GPBAR1KDM4ETSHRLMNA
SCHEMBL3830421 0.79 GPBAR1 (0.90) L3MBTL1GPBAR1KDM4ETSHRLMNA

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