SCHEMBL30166708

SCHEMBL30166708

O=C(Nc1nc2ccc(NS(=O)(=O)c3cccnc3)cc2s1)c1ccco1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 16/20 0.62
▸ NPC1 O15118 14/20 0.62
▸ SMN1; SMN2 Q16637 6/20 0.61
▸ TP53 P04637 2/20 0.61
▸ ALDH1A1 P00352 8/20 0.60
▸ KDM4E B2RXH2 5/20 0.60
▸ POLB P06746 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ MAPT P10636 5/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ CASP3 P42574 2/20 0.57
▸ SENP8 Q96LD8 2/20 0.57
▸ SENP7 Q9BQF6 2/20 0.57
▸ SENP6 Q9GZR1 2/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ HTT P42858 2/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.54

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
SCHEMBL28466536 1.00 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL30166755 0.85 RAB9A (0.78) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL28462219 0.85 RAB9A (0.78) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL30166733 0.83 RAB9A (0.74) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL28468624 0.83 RAB9A (0.74) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL30166758 0.81 RAB9A (0.64) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL28466081 0.81 RAB9A (0.64) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL16334021 0.81 RAB9A (0.87) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL28945548 0.81 CASP3 (0.73) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL28466244 0.79 RAB9A (0.68) RAB9ANPC1SMN1; SMN2TP53ALDH1A1

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 1 patent. 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
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