SCHEMBL28466620

SCHEMBL28466620

CS(=O)(=O)c1ccc(S(=O)(=O)c2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 15/20 0.88
▸ NPC1 O15118 14/20 0.88
▸ SMN1; SMN2 Q16637 7/20 0.88
▸ TP53 P04637 4/20 0.88
▸ ALDH1A1 P00352 8/20 0.69
▸ KDM4E B2RXH2 7/20 0.69
▸ MAPT P10636 5/20 0.69
▸ MEN1 O00255 4/20 0.69
▸ KMT2A Q03164 4/20 0.69
▸ HTT P42858 1/20 0.69
▸ CASP3 P42574 2/20 0.64
▸ SENP8 Q96LD8 2/20 0.64
▸ SENP7 Q9BQF6 2/20 0.64
▸ SENP6 Q9GZR1 2/20 0.64
▸ NFKB1 P19838 1/20 0.64
▸ NFKB2 Q00653 1/20 0.64
▸ RELA Q04206 1/20 0.64
▸ GAA P10253 1/20 0.64
▸ HIF1A Q16665 1/20 0.64
▸ POLB P06746 2/20 0.63

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
SCHEMBL30166737 1.00 RAB9A (0.88) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL30166755 0.86 RAB9A (0.78) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL28462219 0.86 RAB9A (0.78) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL13188972 0.84 RAB9A (0.81) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL2244452 0.80 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL16334021 0.79 RAB9A (0.87) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL3407604 0.78 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4909166 0.78 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL24729213 0.77 RAB9A (0.73) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL3049831 0.76 RAB9A (0.77) RAB9ANPC1SMN1; SMN2TP53ALDH1A1

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 3 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
CN-111763201-A Benzothiazole compound and medical application thereof 中国药科大学 2020-10-13 — — CN disclosed
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