SCHEMBL28226342

SCHEMBL28226342

NC(=O)c1cccn1-c1nccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
GLA P06280 1/20 0.51
TYK2 P29597 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
SCN3A Q9NY46 1/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 5/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
GPX4 P36969 3/20 0.37
HSD17B10 Q99714 2/20 0.36
PPARG P37231 1/20 0.36
MAPK10 P53779 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL26054452 0.81 LMNA (0.48) LMNAGLATYK2SMN1; SMN2HPGD
SCHEMBL28838997 0.76 LMNA (0.46) LMNAGLATYK2SMN1; SMN2HPGD
SCHEMBL16794591 0.74 LMNA (0.54) LMNAGLATYK2SMN1; SMN2HPGD
SCHEMBL26544755 0.73 LMNA (0.53) LMNAGLATYK2SMN1; SMN2HPGD
SCHEMBL18143596 0.73 TYK2 (0.48) LMNAGLATYK2SMN1; SMN2HPGD
SCHEMBL5753871 0.72 LMNA (0.36) LMNAHPGDMAPK1KDM4EALDH1A1
SCHEMBL16198389 0.71 LMNA (0.58) LMNAGLASMN1; SMN2MAPK1KDM4E
SCHEMBL12349896 0.71 LMNA (0.58) LMNAGLATYK2SMN1; SMN2HPGD
SCHEMBL29686564 0.71 TYK2 (0.56) LMNAGLATYK2SMN1; SMN2HPGD
SCHEMBL15181530 0.71 LMNA (0.66) LMNAGLAKDM4EALDH1A1GAA

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-105175408-B Benzothiazole compound and its purposes as drug 中国人民解放军第二军医大学 2018-07-17 CN disclosed