SCHEMBL30166745

SCHEMBL30166745

CN1CCN(C(=O)Nc2nc3ccc(NS(=O)(=O)c4cccs4)cc3s2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.61
▸ KMT2A Q03164 9/20 0.61
▸ MAPT P10636 7/20 0.61
▸ MAPK1 P28482 6/20 0.61
▸ KDM4E B2RXH2 6/20 0.61
▸ ALDH1A1 P00352 5/20 0.61
▸ HPGD P15428 4/20 0.61
▸ GAA P10253 2/20 0.61
▸ LMNA P02545 5/20 0.58
▸ SENP7 Q9BQF6 3/20 0.56
▸ PKM P14618 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HTT P42858 3/20 0.50
▸ TSHR P16473 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CLK1 P49759 2/20 0.49
▸ CASP3 P42574 2/20 0.49
▸ SENP8 Q96LD8 2/20 0.49
▸ SENP6 Q9GZR1 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
SCHEMBL28656599 1.00 MEN1 (0.61) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL30166704 0.90 SMN1; SMN2 (0.58) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL24812905 0.90 SMN1; SMN2 (0.58) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL24812901 0.90 MEN1 (0.56) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL24812958 0.89 MEN1 (0.57) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL28458830 0.87 MEN1 (0.65) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL30166757 0.87 MEN1 (0.65) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL24812486 0.84 MEN1 (0.69) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL30166699 0.84 MEN1 (0.69) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL24812508 0.81 MEN1 (0.57) MEN1KMT2AMAPTMAPK1KDM4E

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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