SCHEMBL28466476

SCHEMBL28466476

O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 13/20 0.74
▸ NPC1 O15118 12/20 0.74
▸ SMN1; SMN2 Q16637 5/20 0.74
▸ ALDH1A1 P00352 4/20 0.74
▸ RXFP1 Q9HBX9 2/20 0.74
▸ POLB P06746 4/20 0.61
▸ KDM4E B2RXH2 4/20 0.61
▸ HPGD P15428 1/20 0.61
▸ MAPT P10636 7/20 0.60
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ CASP3 P42574 2/20 0.56
▸ SENP8 Q96LD8 2/20 0.56
▸ SENP7 Q9BQF6 2/20 0.56
▸ SENP6 Q9GZR1 2/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ TP53 P04637 4/20 0.55
▸ USP2 O75604 1/20 0.52

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
SCHEMBL30166751 1.00 RAB9A (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL28471986 0.87 RAB9A (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL30166746 0.87 RAB9A (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL28468690 0.87 RAB9A (0.73) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL30166731 0.87 RAB9A (0.73) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL28468624 0.84 RAB9A (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL30166733 0.84 RAB9A (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL28468692 0.82 RAB9A (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL16334021 0.82 RAB9A (0.87) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL28466546 0.81 RAB9A (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1

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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