SCHEMBL28466595

SCHEMBL28466595

O=C(c1ccc(C(F)(F)F)cc1)c1ccc2nc(NC(=O)c3ccco3)sc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 14/20 0.62
▸ NPC1 O15118 12/20 0.62
▸ SMN1; SMN2 Q16637 6/20 0.62
▸ KDM4E B2RXH2 4/20 0.62
▸ MAPT P10636 3/20 0.62
▸ CASP3 P42574 2/20 0.62
▸ SENP8 Q96LD8 2/20 0.62
▸ SENP7 Q9BQF6 2/20 0.62
▸ SENP6 Q9GZR1 2/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ NFKB1 P19838 1/20 0.62
▸ NFKB2 Q00653 1/20 0.62
▸ RELA Q04206 1/20 0.62
▸ ALDH1A1 P00352 4/20 0.62
▸ TP53 P04637 2/20 0.62
▸ USP2 O75604 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ RXFP1 Q9HBX9 1/20 0.58
▸ POLB P06746 1/20 0.57

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
SCHEMBL30166702 1.00 RAB9A (0.62) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL28466144 0.87 RAB9A (0.66) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL30166735 0.87 RAB9A (0.66) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL30166732 0.84 RAB9A (0.62) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL28460028 0.84 RAB9A (0.62) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL30166714 0.83 RAB9A (0.67) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL28464792 0.83 RAB9A (0.67) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL24729213 0.83 RAB9A (0.73) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL28468653 0.83 RAB9A (0.64) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL30166730 0.83 RAB9A (0.64) RAB9ANPC1SMN1; SMN2KDM4EMAPT

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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