SCHEMBL29135073

SCHEMBL29135073

CCOC(=O)c1cccs1.NC(=O)c1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.57
HIF1A Q16665 1/20 0.52
PLAU P00749 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 6/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 6/20 0.48
ALDH1A1 P00352 5/20 0.48
GAA P10253 2/20 0.48
CHEK2 O96017 1/20 0.48
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47

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
SCHEMBL29134734 0.84 LMNA (0.61) ARNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7791354 0.79 PLAU (0.72) ARHIF1APLAUHPGDSMN1; SMN2
SCHEMBL1883726 0.77 MEN1 (0.64) ARHIF1APLAUHPGDSMN1; SMN2
SCHEMBL7319886 0.75 LMNA (0.69) ARHIF1APLAUPOLBSMN1; SMN2
SCHEMBL7320847 0.74 PKM (0.64) ARHIF1APLAUNPC1SMN1; SMN2
SCHEMBL2824645 0.72 AR (0.67) ARHIF1APLAUNPC1POLB
SCHEMBL7789908 0.72 HIF1A (0.62) ARHIF1APLAUNPC1HPGD
SCHEMBL29134733 0.72 NR3C1 (0.45) ARNPC1POLBHPGDSMN1; SMN2
SCHEMBL29134735 0.70 FABP4 (0.43) NPC1POLBHPGDSMN1; SMN2MEN1
SCHEMBL422787 0.69 RAB9A (0.62) NPC1POLBHPGDSMN1; SMN2MEN1

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