SCHEMBL28528260

SCHEMBL28528260

COc1ccc(CN(c2cncs2)S(=O)(=O)c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3(C)C)c(Cl)c2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.39
MAPT P10636 2/20 0.36
BMP1 P13497 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
SCN1A P35498 2/20 0.34
SCN8A Q9UQD0 2/20 0.34
EPHX2 P34913 1/20 0.34
GPR119 Q8TDV5 3/20 0.34
P2RX3 P56373 1/20 0.33
DYRK1A Q13627 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL19613593 0.86 SCN8A (0.42) STSMAPTBMP1MEN1KMT2A
SCHEMBL19627593 0.81 SCN8A (0.42) STSMAPTBMP1MEN1KMT2A
SCHEMBL19613659 0.78 SCN8A (0.46) STSBMP1PDE4APDE4BPDE4C
SCHEMBL19613480 0.76 SCN1A (0.42) STSMAPTBMP1MEN1KMT2A
SCHEMBL19631502 0.76 SCN1A (0.42) STSMAPTBMP1MEN1KMT2A
SCHEMBL19634014 0.76 SCN1A (0.42) STSMAPTBMP1MEN1KMT2A
SCHEMBL19613880 0.75 SCN1A (0.41) STSBMP1PDE4BSCN1ASCN8A
SCHEMBL19633926 0.74 STS (0.36) STSMAPTMEN1KMT2APDE4A
SCHEMBL19614028 0.74 SCN1A (0.41) STSBMP1SCN1ASCN8AGPR119
SCHEMBL19631557 0.73 CNR1 (0.41) STSBMP1SCN1ASCN8ADYRK1A

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-109526219-B Benzenesulfonamides and their use as therapeutic agents 泽农医药公司 2021-03-12 CN disclosed