SCHEMBL28227100

SCHEMBL28227100

O=C(Nc1nc2ccc(NS(=O)(=O)c3ccccc3F)cc2s1)c1ccc[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.56
▸ MEN1 O00255 6/20 0.56
▸ KMT2A Q03164 6/20 0.56
▸ LMNA P02545 4/20 0.56
▸ HTT P42858 3/20 0.56
▸ HPGD P15428 3/20 0.56
▸ PKM P14618 2/20 0.56
▸ CASP3 P42574 1/20 0.53
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ AKT1 P31749 3/20 0.52
▸ MTOR P42345 2/20 0.52
▸ PIK3CA P42336 2/20 0.52
▸ MAPT P10636 5/20 0.49
▸ RECQL P46063 2/20 0.49
▸ POLB P06746 1/20 0.48
▸ LRRK2 Q5S007 1/20 0.47
▸ TNF P01375 1/20 0.47
▸ NOD2 Q9HC29 1/20 0.47

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
SCHEMBL28861061 0.88 CASP3 (0.51) KDM4EMEN1KMT2ALMNAHTT
SCHEMBL28227107 0.87 SENP7 (0.51) KDM4EMEN1KMT2ALMNAHTT
SCHEMBL28860936 0.87 DYRK1A (0.59) KDM4EMEN1KMT2ALMNAHTT
SCHEMBL28227094 0.86 HTT (0.56) KDM4EMEN1KMT2ALMNAHTT
SCHEMBL28227101 0.84 DYRK1A (0.62) KDM4EMEN1KMT2ALMNAHTT
SCHEMBL28860940 0.83 HSD17B10 (0.56) KDM4EMEN1KMT2ALMNAHPGD
SCHEMBL28226349 0.83 USP2 (0.54) KDM4EMEN1KMT2ALMNAHTT
SCHEMBL28226387 0.82 CASP3 (0.56) KDM4EMEN1KMT2ALMNAHTT
SCHEMBL28226336 0.82 CASP3 (0.54) KDM4EMEN1KMT2ALMNAHTT
SCHEMBL28226338 0.82 CASP3 (0.52) KDM4EMEN1KMT2ALMNAHTT

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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