SCHEMBL30166755

SCHEMBL30166755

CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 13/20 0.78
▸ NPC1 O15118 12/20 0.78
▸ SMN1; SMN2 Q16637 6/20 0.78
▸ TP53 P04637 3/20 0.78
▸ KDM4E B2RXH2 8/20 0.64
▸ ALDH1A1 P00352 7/20 0.64
▸ HPGD P15428 2/20 0.64
▸ POLB P06746 1/20 0.64
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ MAPT P10636 9/20 0.62
▸ HTT P42858 2/20 0.60
▸ CASP3 P42574 2/20 0.59
▸ SENP8 Q96LD8 2/20 0.59
▸ SENP7 Q9BQF6 2/20 0.59
▸ SENP6 Q9GZR1 2/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ NFKB2 Q00653 1/20 0.59
▸ RELA Q04206 1/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.58

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
SCHEMBL28462219 1.00 RAB9A (0.78) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL28468624 0.88 RAB9A (0.74) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL30166733 0.88 RAB9A (0.74) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL28466620 0.86 RAB9A (0.88) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL30166737 0.86 RAB9A (0.88) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL28466536 0.85 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL30166708 0.85 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL28466081 0.83 RAB9A (0.64) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL30166758 0.83 RAB9A (0.64) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL16334021 0.82 RAB9A (0.87) RAB9ANPC1SMN1; SMN2TP53KDM4E

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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