SCHEMBL28900108

SCHEMBL28900108

O=C(Nc1nc2ccc(N3CCNCC3)cc2s1)c1ccco1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 17/20 0.62
▸ NPC1 O15118 15/20 0.62
▸ SMN1; SMN2 Q16637 8/20 0.62
▸ MAPT P10636 4/20 0.62
▸ KDM4E B2RXH2 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ CASP3 P42574 2/20 0.62
▸ SENP8 Q96LD8 2/20 0.62
▸ SENP7 Q9BQF6 2/20 0.62
▸ SENP6 Q9GZR1 2/20 0.62
▸ NFKB1 P19838 1/20 0.62
▸ NFKB2 Q00653 1/20 0.62
▸ RELA Q04206 1/20 0.62
▸ ALDH1A1 P00352 5/20 0.60
▸ HTT P42858 1/20 0.60
▸ TP53 P04637 3/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58
▸ PKM P14618 2/20 0.58
▸ F2 P00734 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
SCHEMBL28458987 0.78 RAB9A (0.68) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL16334021 0.78 RAB9A (0.87) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL2244452 0.77 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL24729213 0.76 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL3049831 0.75 RAB9A (0.77) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL3407604 0.75 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL4909166 0.75 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL13328295 0.75 LRRK2 (0.78) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL21701474 0.74 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL23607117 0.73 NPC1 (0.51) RAB9ANPC1KMT2AMEN1ALDH1A1

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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