SCHEMBL28653045

SCHEMBL28653045

CN(C)c1ccc(C(=O)Nc2nc3ccc(NS(=O)(=O)c4cccs4)cc3s2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.75
▸ KMT2A Q03164 10/20 0.75
▸ KDM4E B2RXH2 7/20 0.75
▸ MAPT P10636 7/20 0.75
▸ ALDH1A1 P00352 5/20 0.75
▸ HPGD P15428 4/20 0.75
▸ MAPK1 P28482 4/20 0.75
▸ GAA P10253 2/20 0.75
▸ LMNA P02545 3/20 0.72
▸ SENP7 Q9BQF6 3/20 0.69
▸ CASP3 P42574 2/20 0.61
▸ SENP8 Q96LD8 2/20 0.61
▸ SENP6 Q9GZR1 2/20 0.61
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ PKM P14618 3/20 0.51
▸ TP53 P04637 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ USP8 P40818 1/20 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
SCHEMBL30166699 0.83 MEN1 (0.69) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL24812486 0.83 MEN1 (0.69) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL28648254 0.82 MEN1 (0.62) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL30166738 0.82 MEN1 (0.62) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL24812957 0.81 MEN1 (0.66) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL28466081 0.80 RAB9A (0.64) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL30166758 0.80 RAB9A (0.64) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL24811102 0.79 MEN1 (0.64) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL24812506 0.78 MEN1 (0.57) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL30166743 0.77 MEN1 (0.64) MEN1KMT2AKDM4EMAPTALDH1A1

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 2 patents. 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
CN-112812111-A Benzothiazole compound and medical application thereof 中国药科大学 2021-05-18 — — CN disclosed
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