SCHEMBL28786232

SCHEMBL28786232

OCC(c1ccccn1)C1SC=CS1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
TSHR P16473 1/20 0.39
KCNA5 P22460 6/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
SCN5A Q14524 1/20 0.38
KCND3 Q9UK17 1/20 0.38
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KCNE1 P15382 2/20 0.35
CYP2D6 P10635 1/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CHRM2 P08172 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34

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
SCHEMBL14835673 0.77 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL1858714 0.71 TSHR (0.57) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL29520732 0.71 TSHR (0.57) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL6481541 0.70 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL211788 0.70 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL30663811 0.70 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL17064526 0.69 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL23343761 0.68 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL14928678 0.68 TSHR (0.48) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL1439087 0.68 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRKCNA5

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-114728056-A Compounds for inducing antigen-specific immune tolerance 阿诺基昂股份公司 2022-07-08 CN disclosed