SCHEMBL30679121

SCHEMBL30679121

O=C(NCc1cccs1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.73
KMT2A Q03164 10/20 0.73
MAPT P10636 3/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
LMNA P02545 7/20 0.70
HTT P42858 5/20 0.70
ALDH1A1 P00352 4/20 0.70
TSHR P16473 3/20 0.70
NPSR1 Q6W5P4 2/20 0.70
SMN1; SMN2 Q16637 7/20 0.61
HPGD P15428 3/20 0.61
POLB P06746 1/20 0.61
KDM4E B2RXH2 5/20 0.60
MAPK1 P28482 1/20 0.60
TDP1 Q9NUW8 3/20 0.56
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55

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
SCHEMBL29134741 1.00 MEN1 (0.73) MEN1KMT2AMAPTCYP3A4CYP2D6
SCHEMBL30679130 0.90 POLB (0.67) MEN1KMT2AMAPTCYP3A4CYP2D6
SCHEMBL29135068 0.90 POLB (0.67) MEN1KMT2AMAPTCYP3A4CYP2D6
SCHEMBL29135080 0.79 MEN1 (0.80) MEN1KMT2AMAPTCYP3A4CYP2D6
SCHEMBL30679113 0.79 MEN1 (0.80) MEN1KMT2AMAPTCYP3A4CYP2D6
SCHEMBL664021 0.77 KMT2A (1.00) MEN1KMT2AMAPTCYP3A4CYP2D6
SCHEMBL17716943 0.77 SMN1; SMN2 (0.69) MEN1KMT2AMAPTCYP3A4CYP2D6
SCHEMBL29135066 0.77 MEN1 (0.68) MEN1KMT2AMAPTCYP3A4CYP2D6
SCHEMBL30679111 0.77 MEN1 (0.68) MEN1KMT2AMAPTCYP3A4CYP2D6
SCHEMBL662400 0.76 L3MBTL1 (0.70) MEN1KMT2AMAPTCYP3A4CYP2D6

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