SCHEMBL28468690

SCHEMBL28468690

O=C(Nc1nc2ccc(NCCc3ccc([N+](=O)[O-])cc3)cc2s1)c1ccco1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.73
▸ NPC1 O15118 11/20 0.73
▸ SMN1; SMN2 Q16637 6/20 0.73
▸ ALDH1A1 P00352 6/20 0.73
▸ RXFP1 Q9HBX9 1/20 0.73
▸ KDM4E B2RXH2 4/20 0.58
▸ POLB P06746 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ CASP3 P42574 2/20 0.58
▸ SENP8 Q96LD8 2/20 0.58
▸ SENP7 Q9BQF6 2/20 0.58
▸ SENP6 Q9GZR1 2/20 0.58
▸ MAPT P10636 7/20 0.57
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ TP53 P04637 2/20 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
SCHEMBL30166731 1.00 RAB9A (0.73) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL30166751 0.87 RAB9A (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL28466476 0.87 RAB9A (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL30166733 0.83 RAB9A (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL28468624 0.83 RAB9A (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL28468692 0.82 RAB9A (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL16334021 0.80 RAB9A (0.87) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL28466479 0.78 RAB9A (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL3407604 0.76 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL5001727 0.74 RIPK1 (0.67) 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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