SCHEMBL28468624

SCHEMBL28468624

O=C(Nc1nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2s1)c1ccco1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.74
▸ NPC1 O15118 10/20 0.74
▸ ALDH1A1 P00352 5/20 0.74
▸ SMN1; SMN2 Q16637 4/20 0.74
▸ RXFP1 Q9HBX9 1/20 0.74
▸ MEN1 O00255 4/20 0.66
▸ KMT2A Q03164 4/20 0.66
▸ TP53 P04637 1/20 0.63
▸ KDM4E B2RXH2 3/20 0.60
▸ POLB P06746 3/20 0.59
▸ HPGD P15428 1/20 0.59
▸ MAPT P10636 7/20 0.58
▸ THRB P10828 1/20 0.58
▸ HTT P42858 1/20 0.57
▸ 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

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
SCHEMBL30166733 1.00 RAB9A (0.74) RAB9ANPC1ALDH1A1SMN1; SMN2RXFP1
SCHEMBL30166755 0.88 RAB9A (0.78) RAB9ANPC1ALDH1A1SMN1; SMN2RXFP1
SCHEMBL28462219 0.88 RAB9A (0.78) RAB9ANPC1ALDH1A1SMN1; SMN2RXFP1
SCHEMBL28466476 0.84 RAB9A (0.74) RAB9ANPC1ALDH1A1SMN1; SMN2RXFP1
SCHEMBL30166751 0.84 RAB9A (0.74) RAB9ANPC1ALDH1A1SMN1; SMN2RXFP1
SCHEMBL28468690 0.83 RAB9A (0.73) RAB9ANPC1ALDH1A1SMN1; SMN2RXFP1
SCHEMBL30166731 0.83 RAB9A (0.73) RAB9ANPC1ALDH1A1SMN1; SMN2RXFP1
SCHEMBL28466536 0.83 RAB9A (0.62) RAB9ANPC1ALDH1A1SMN1; SMN2RXFP1
SCHEMBL30166708 0.83 RAB9A (0.62) RAB9ANPC1ALDH1A1SMN1; SMN2RXFP1
SCHEMBL28468692 0.82 RAB9A (0.72) RAB9ANPC1ALDH1A1SMN1; SMN2RXFP1

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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