SCHEMBL30166711

SCHEMBL30166711

CN(C)CC(=O)Nc1nc2ccc(N(S(=O)(=O)c3cccs3)S(=O)(=O)c3cccs3)cc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.66
▸ L3MBTL1 Q9Y468 2/20 0.66
▸ HTT P42858 8/20 0.55
▸ LMNA P02545 7/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ MEN1 O00255 13/20 0.54
▸ KMT2A Q03164 13/20 0.54
▸ TSHR P16473 3/20 0.54
▸ CLK1 P49759 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ CSNK1D P48730 1/20 0.50
▸ MAPK1 P28482 6/20 0.49
▸ USP2 O75604 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ HSD17B10 Q99714 2/20 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
SCHEMBL28647141 1.00 MAPT (0.66) MAPTL3MBTL1HTTLMNANPSR1
Hydrochloric Acid SCHEMBL28659702 0.87 MAPT (0.57) MAPTL3MBTL1HTTLMNANPSR1
SCHEMBL30166748 0.87 MAPT (0.55) MAPTL3MBTL1HTTLMNAMEN1
SCHEMBL30166725 0.86 MEN1 (0.56) MAPTL3MBTL1HTTLMNANPSR1
SCHEMBL28643271 0.86 MEN1 (0.56) MAPTL3MBTL1HTTLMNANPSR1
SCHEMBL28648254 0.83 MEN1 (0.62) MAPTL3MBTL1HTTLMNANPSR1
SCHEMBL30166738 0.83 MEN1 (0.62) MAPTL3MBTL1HTTLMNANPSR1
SCHEMBL30166712 0.81 MAPT (0.51) MAPTL3MBTL1HTTLMNANPSR1
SCHEMBL28656439 0.81 MEN1 (0.59) MAPTL3MBTL1HTTLMNANPSR1
SCHEMBL30166701 0.81 MEN1 (0.59) MAPTL3MBTL1HTTLMNANPSR1

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-112812111-B Benzothiazole compound and medical application thereof 中国药科大学 2023-01-31 — — CN disclosed
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