SCHEMBL28466466

SCHEMBL28466466

O=C(Nc1ccc2nc(NC(=O)c3ccco3)sc2c1)c1ccncc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 17/20 0.74
▸ NPC1 O15118 16/20 0.74
▸ ALDH1A1 P00352 4/20 0.74
▸ KDM4E B2RXH2 3/20 0.74
▸ POLB P06746 1/20 0.74
▸ HPGD P15428 1/20 0.74
▸ SMN1; SMN2 Q16637 5/20 0.65
▸ MAPT P10636 3/20 0.65
▸ CASP3 P42574 2/20 0.65
▸ SENP8 Q96LD8 2/20 0.65
▸ SENP7 Q9BQF6 2/20 0.65
▸ SENP6 Q9GZR1 2/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ NFKB1 P19838 1/20 0.65
▸ NFKB2 Q00653 1/20 0.65
▸ RELA Q04206 1/20 0.65
▸ TP53 P04637 2/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ USP2 O75604 1/20 0.59

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
SCHEMBL16334021 0.91 RAB9A (0.87) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL28466740 0.87 RAB9A (0.72) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL18562683 0.86 RAB9A (0.71) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL3407604 0.85 RAB9A (1.00) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL28462117 0.84 RAB9A (0.72) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL28466244 0.84 RAB9A (0.68) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL28227104 0.84 RAB9A (0.71) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL28960071 0.83 RAB9A (0.67) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL24729213 0.80 RAB9A (0.73) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL28465862 0.80 RAB9A (0.68) RAB9ANPC1ALDH1A1KDM4EPOLB

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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