SCHEMBL28227094

SCHEMBL28227094

O=C(Nc1nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2s1)c1ccc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.56
▸ LMNA P02545 3/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ MAPT P10636 6/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ RECQL P46063 2/20 0.54
▸ POLB P06746 1/20 0.52
▸ MEN1 O00255 6/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ TNF P01375 1/20 0.51
▸ NOD2 Q9HC29 1/20 0.51
▸ NOD1 Q9Y239 1/20 0.51
▸ PIK3CA P42336 3/20 0.50
▸ MTOR P42345 3/20 0.50

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
SCHEMBL28860936 0.91 DYRK1A (0.59) HTTLMNASMN1; SMN2MAPTKDM4E
SCHEMBL28227101 0.91 DYRK1A (0.62) HTTLMNASMN1; SMN2MAPTKDM4E
SCHEMBL28226349 0.91 USP2 (0.54) HTTLMNASMN1; SMN2MAPTKDM4E
SCHEMBL28226387 0.91 CASP3 (0.56) HTTLMNAMAPTKDM4ERECQL
SCHEMBL28226338 0.91 CASP3 (0.52) HTTLMNASMN1; SMN2MAPTKDM4E
SCHEMBL28226336 0.91 CASP3 (0.54) HTTLMNASMN1; SMN2MAPTKDM4E
SCHEMBL28226361 0.88 MAPT (0.49) HTTLMNASMN1; SMN2MAPTKDM4E
SCHEMBL28227100 0.86 KDM4E (0.56) HTTLMNAMAPTKDM4ERECQL
SCHEMBL28226308 0.85 LRRK2 (0.60) HTTLMNASMN1; SMN2MAPTKDM4E
SCHEMBL28226392 0.85 AKT1 (0.51) HTTLMNASMN1; SMN2MAPTKDM4E

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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