SCHEMBL30679111

SCHEMBL30679111

O=C(Nc1nccs1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.68
KMT2A Q03164 10/20 0.68
MAPT P10636 10/20 0.68
LMNA P02545 7/20 0.68
SMN1; SMN2 Q16637 7/20 0.68
KDM4E B2RXH2 3/20 0.68
HPGD P15428 2/20 0.68
MAPK1 P28482 1/20 0.68
ALDH1A1 P00352 4/20 0.67
POLB P06746 4/20 0.67
NPSR1 Q6W5P4 1/20 0.67
TSHR P16473 1/20 0.63
TP53 P04637 1/20 0.63
RAB9A P51151 2/20 0.60
HTT P42858 2/20 0.59
NPC1 O15118 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL29135066 1.00 MEN1 (0.68) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL29135070 0.90 LMNA (0.68) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL30679109 0.90 LMNA (0.68) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL29978107 0.83 SMN1; SMN2 (0.71) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL662898 0.83 SMN1; SMN2 (0.71) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL29978195 0.82 L3MBTL1 (0.70) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL662400 0.82 L3MBTL1 (0.70) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL29978651 0.81 SMN1; SMN2 (0.90) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL663770 0.81 SMN1; SMN2 (0.90) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL665069 0.81 MAPT (0.81) MEN1KMT2AMAPTLMNASMN1; SMN2

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