SCHEMBL29135078

SCHEMBL29135078

O=C(Nc1cccnn1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.62
KMT2A Q03164 12/20 0.62
SMN1; SMN2 Q16637 9/20 0.61
KDM4E B2RXH2 6/20 0.61
LMNA P02545 6/20 0.61
HTT P42858 4/20 0.61
TDP1 Q9NUW8 4/20 0.61
TP53 P04637 3/20 0.61
ALOX15 P16050 2/20 0.61
HSD17B10 Q99714 2/20 0.61
TSHR P16473 1/20 0.61
MAPT P10636 6/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
POLB P06746 2/20 0.59
HPGD P15428 2/20 0.58
MAPK1 P28482 1/20 0.58

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
SCHEMBL30679124 1.00 MEN1 (0.62) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL29134722 0.89 AKR1C3 (0.64) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL30679117 0.89 AKR1C3 (0.64) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL30679126 0.83 MEN1 (0.61) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL665608 0.83 MEN1 (0.63) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL29134746 0.83 MEN1 (0.61) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL662400 0.82 L3MBTL1 (0.70) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL29978195 0.82 L3MBTL1 (0.70) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL664971 0.82 SMN1; SMN2 (0.71) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL665207 0.81 LMNA (0.72) MEN1KMT2ASMN1; SMN2KDM4ELMNA

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