SCHEMBL28226392

SCHEMBL28226392

O=C(Nc1nc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2s1)c1ccc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.51
▸ USP2 O75604 2/20 0.50
▸ USP8 P40818 2/20 0.50
▸ MAPT P10636 4/20 0.49
▸ DYRK1A Q13627 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ TNF P01375 1/20 0.48
▸ NOD2 Q9HC29 1/20 0.48
▸ NOD1 Q9Y239 1/20 0.48
▸ RECQL P46063 2/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ CSNK1D P48730 4/20 0.48
▸ ACP1 P24666 1/20 0.48

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
SCHEMBL28226349 0.92 USP2 (0.54) AKT1USP2USP8MAPTDYRK1A
SCHEMBL28227101 0.89 DYRK1A (0.62) AKT1MAPTDYRK1AKDM4EHTT
SCHEMBL28860936 0.87 DYRK1A (0.59) AKT1USP2USP8MAPTDYRK1A
SCHEMBL28227094 0.85 HTT (0.56) AKT1MAPTDYRK1AKDM4EHTT
SCHEMBL28861061 0.83 CASP3 (0.51) AKT1USP2USP8MAPTDYRK1A
SCHEMBL28226336 0.83 CASP3 (0.54) AKT1MAPTDYRK1AKDM4EHTT
SCHEMBL28226338 0.83 CASP3 (0.52) AKT1MAPTDYRK1AKDM4EHTT
SCHEMBL28226387 0.83 CASP3 (0.56) AKT1MAPTDYRK1AKDM4EHTT
SCHEMBL28226361 0.81 MAPT (0.49) AKT1MAPTDYRK1AKDM4EHTT
SCHEMBL28860940 0.80 HSD17B10 (0.56) MAPTKDM4EMEN1LMNAKMT2A

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
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