SCHEMBL29135077

SCHEMBL29135077

O=C(Nc1ccncn1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.67
AKR1C3 P42330 2/20 0.63
NR3C1 P04150 4/20 0.62
AR P10275 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.61
ALDH1A1 P00352 4/20 0.61
LMNA P02545 4/20 0.61
HTT P42858 3/20 0.61
MAPT P10636 2/20 0.61
KDM4E B2RXH2 1/20 0.61
HPGD P15428 1/20 0.61
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
STAT3 P40763 1/20 0.57
TP53 P04637 1/20 0.57
AKR1C1 Q04828 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL30679106 1.00 L3MBTL1 (0.67) L3MBTL1AKR1C3NR3C1ARSMN1; SMN2
SCHEMBL29134746 0.90 MEN1 (0.61) L3MBTL1SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL30679126 0.90 MEN1 (0.61) L3MBTL1SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL30679117 0.84 AKR1C3 (0.64) L3MBTL1AKR1C3NR3C1ARSMN1; SMN2
SCHEMBL29134722 0.84 AKR1C3 (0.64) L3MBTL1AKR1C3NR3C1ARSMN1; SMN2
SCHEMBL29135070 0.81 LMNA (0.68) L3MBTL1AKR1C3NR3C1ARSMN1; SMN2
SCHEMBL30679109 0.81 LMNA (0.68) L3MBTL1AKR1C3NR3C1ARSMN1; SMN2
SCHEMBL665055 0.81 L3MBTL1 (1.00) L3MBTL1AKR1C3NR3C1ARSMN1; SMN2
SCHEMBL30679105 0.78 AKR1C3 (1.00) AKR1C3NR3C1ARSMN1; SMN2LMNA
SCHEMBL664241 0.78 AKR1C3 (1.00) AKR1C3NR3C1ARSMN1; SMN2LMNA

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-117298108-A Androgen receptor and glucocorticoid receptor dual-target inhibitor and application thereof 浙江师范大学 2023-12-29 CN disclosed