SCHEMBL30166718

SCHEMBL30166718

O=C(Nc1nc2c(O)cc(NS(=O)(=O)c3cccs3)cc2s1)c1ccco1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 15/20 0.52
▸ NPC1 O15118 14/20 0.52
▸ KMT2A Q03164 8/20 0.51
▸ MEN1 O00255 7/20 0.51
▸ KDM4E B2RXH2 7/20 0.51
▸ MAPT P10636 6/20 0.51
▸ MAPK1 P28482 5/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ HPGD P15428 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ CASP3 P42574 2/20 0.51
▸ SENP8 Q96LD8 2/20 0.51
▸ SENP7 Q9BQF6 2/20 0.51
▸ SENP6 Q9GZR1 2/20 0.51
▸ GAA P10253 2/20 0.49
▸ ALOX15 P16050 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TP53 P04637 2/20 0.47

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
SCHEMBL28900144 1.00 RAB9A (0.52) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL28466081 0.85 RAB9A (0.64) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL30166758 0.85 RAB9A (0.64) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL28463241 0.84 RAB9A (0.59) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL30166727 0.84 RAB9A (0.59) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL28945548 0.72 CASP3 (0.73) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL30166755 0.69 RAB9A (0.78) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL28462219 0.69 RAB9A (0.78) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL16334021 0.68 RAB9A (0.87) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL24812486 0.68 MEN1 (0.69) RAB9ANPC1KMT2AMEN1KDM4E

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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