SCHEMBL28619635

SCHEMBL28619635

O=S1(=O)N=C(Nc2cccc(F)c2)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.71
MAPT P10636 5/20 0.70
LMNA P02545 2/20 0.63
VCP P55072 1/20 0.60
ALDH1A1 P00352 2/20 0.59
RXFP1 Q9HBX9 1/20 0.54
POLB P06746 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
GAA P10253 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALOX5 P09917 2/20 0.49
PTGES O14684 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 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
SCHEMBL30431601 1.00 EPAS1 (0.71) EPAS1MAPTLMNAVCPALDH1A1
SCHEMBL28616516 0.84 ALDH1A1 (0.73) EPAS1MAPTLMNAVCPALDH1A1
SCHEMBL30431609 0.84 ALDH1A1 (0.73) EPAS1MAPTLMNAVCPALDH1A1
SCHEMBL8976661 0.83 ALDH1A1 (0.77) EPAS1MAPTLMNAVCPALDH1A1
SCHEMBL30430973 0.83 ALDH1A1 (0.63) EPAS1MAPTLMNAVCPALDH1A1
SCHEMBL28620603 0.83 ALDH1A1 (0.63) EPAS1MAPTLMNAVCPALDH1A1
SCHEMBL28631021 0.82 MAPT (1.00) EPAS1MAPTLMNAVCPALDH1A1
SCHEMBL30430647 0.79 LMNA (0.58) EPAS1MAPTLMNAVCPALDH1A1
SCHEMBL28620966 0.79 LMNA (0.58) EPAS1MAPTLMNAVCPALDH1A1
SCHEMBL25488403 0.76 VCP (0.79) EPAS1MAPTLMNAVCPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113264900-A Preparation method and medical application of benzisothiazole and benzothiophene 南京中医药大学 2021-08-17 CN claimed
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