SCHEMBL28468692

SCHEMBL28468692

CC(Nc1ccc2nc(NC(=O)c3ccco3)sc2c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 15/20 0.72
▸ NPC1 O15118 14/20 0.72
▸ SMN1; SMN2 Q16637 5/20 0.72
▸ ALDH1A1 P00352 5/20 0.72
▸ RXFP1 Q9HBX9 1/20 0.72
▸ KDM4E B2RXH2 4/20 0.59
▸ POLB P06746 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ MAPT P10636 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ TP53 P04637 2/20 0.56
▸ CASP3 P42574 2/20 0.55
▸ SENP8 Q96LD8 2/20 0.55
▸ SENP7 Q9BQF6 2/20 0.55
▸ SENP6 Q9GZR1 2/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ NFKB2 Q00653 1/20 0.55
▸ RELA Q04206 1/20 0.55
▸ USP2 O75604 1/20 0.51

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
SCHEMBL28466476 0.82 RAB9A (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL30166733 0.82 RAB9A (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL28468624 0.82 RAB9A (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL30166751 0.82 RAB9A (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL30166731 0.82 RAB9A (0.73) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL28468690 0.82 RAB9A (0.73) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL28466479 0.79 RAB9A (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL16334021 0.79 RAB9A (0.87) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL3407604 0.77 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL2244452 0.74 RAB9A (1.00) 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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