SCHEMBL28627604

SCHEMBL28627604

O=C(O)c1cc(NC2=NS(=O)(=O)c3ccccc32)cc(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
EPAS1 Q99814 2/20 0.64
RXFP1 Q9HBX9 1/20 0.64
ALDH1A1 P00352 1/20 0.62
VCP P55072 1/20 0.56
MAPT P10636 4/20 0.54
HSD17B10 Q99714 2/20 0.53
TSHR P16473 1/20 0.53
POLB P06746 2/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL30430202 1.00 LMNA (0.65) LMNAEPAS1RXFP1ALDH1A1VCP
SCHEMBL28635062 0.86 LMNA (0.49) LMNAEPAS1RXFP1ALDH1A1VCP
SCHEMBL8976661 0.82 ALDH1A1 (0.77) LMNAEPAS1RXFP1ALDH1A1VCP
SCHEMBL11887721 0.76 LMNA (0.63) LMNAEPAS1RXFP1ALDH1A1VCP
SCHEMBL10930533 0.76 LMNA (0.77) LMNAEPAS1RXFP1ALDH1A1VCP
SCHEMBL4823647 0.74 EPAS1 (0.76) LMNAEPAS1RXFP1ALDH1A1VCP
SCHEMBL28616516 0.74 ALDH1A1 (0.73) LMNAEPAS1RXFP1ALDH1A1VCP
SCHEMBL30431609 0.74 ALDH1A1 (0.73) LMNAEPAS1RXFP1ALDH1A1VCP
SCHEMBL30430973 0.73 ALDH1A1 (0.63) LMNAEPAS1RXFP1ALDH1A1VCP
SCHEMBL30431601 0.73 EPAS1 (0.71) LMNAEPAS1RXFP1ALDH1A1VCP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113264900-B Preparation method and medical application of benzisothiazole and benzothiophene 南京中医药大学 2023-05-26 CN disclosed
CN-113264900-A Preparation method and medical application of benzisothiazole and benzothiophene 南京中医药大学 2021-08-17 CN disclosed