SCHEMBL30166701

SCHEMBL30166701

O=C(Nc1nc2ccc(N(S(=O)(=O)c3cccs3)S(=O)(=O)c3cccs3)cc2s1)C1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.59
▸ KMT2A Q03164 8/20 0.59
▸ MAPT P10636 7/20 0.59
▸ MAPK1 P28482 5/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ LMNA P02545 4/20 0.56
▸ HTT P42858 4/20 0.56
▸ CLK1 P49759 1/20 0.56
▸ ALDH1A1 P00352 8/20 0.56
▸ POLB P06746 2/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ MAOA P21397 1/20 0.55
▸ MAOB P27338 1/20 0.55
▸ NPC1 O15118 6/20 0.54
▸ RAB9A P51151 5/20 0.54
▸ GFER P55789 1/20 0.54
▸ HPGD P15428 4/20 0.52
▸ USP2 O75604 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL28656439 1.00 MEN1 (0.59) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL30166753 0.99 MEN1 (0.58) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL28653050 0.99 MEN1 (0.58) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL30166717 0.92 MEN1 (0.56) MEN1KMT2AMAPTMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL28466669 0.92 MEN1 (0.56) MEN1KMT2AMAPTMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL30166706 0.92 MEN1 (0.56) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL30166734 0.92 MEN1 (0.56) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL28662619 0.92 MEN1 (0.56) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL28640799 0.92 MEN1 (0.56) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL30166720 0.90 MEN1 (0.64) MEN1KMT2AMAPTMAPK1SMN1; SMN2

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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