SCHEMBL29746441

SCHEMBL29746441

COCCn1cc(CNC(=O)c2ccsc2N)cn1.Nc1sccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
JAK3 P52333 2/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IKBKE Q14164 5/20 0.38
TBK1 Q9UHD2 5/20 0.38
GAA P10253 1/20 0.37
KLKB1 P03952 5/20 0.37
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
KLK1 P06870 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL26606609 0.96 ALDH1A1 (0.42) JAK2JAK1JAK3MAPTALDH1A1
SCHEMBL29746436 0.85 ALDH1A1 (0.54) MAPTALDH1A1TP53SMN1; SMN2L3MBTL1
SCHEMBL24570157 0.81 ALDH1A1 (0.58) MAPTALDH1A1TP53SMN1; SMN2L3MBTL1
SCHEMBL3258043 0.77 GAA (0.44) JAK2JAK1JAK3MAPTALDH1A1
SCHEMBL29746626 0.71 L3MBTL1 (0.46) MAPTSMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL24570734 0.71 MAPT (0.38) JAK2JAK1JAK3MAPTALDH1A1
SCHEMBL29746328 0.69 KDM4E (0.40) MAPTALDH1A1TP53SMN1; SMN2MAPK1
SCHEMBL4411971 0.67 GAA (0.42) JAK2JAK1JAK3IKBKETBK1
SCHEMBL28965270 0.67 JAK1 (0.48) JAK2JAK1JAK3IKBKETBK1
SCHEMBL29746483 0.66 L3MBTL1 (0.47) MAPTALDH1A1SMN1; SMN2L3MBTL1GAA

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
WO-2022138812-A1 TETRAHYDRO THIENOPYRIDINE SULFONAMIDE COMPOUND モジュラス株式会社 2022-06-30 WO disclosed