SCHEMBL24729213

SCHEMBL24729213

O=C(O)c1ccc2nc(NC(=O)c3ccco3)sc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 16/20 0.73
▸ NPC1 O15118 14/20 0.73
▸ SMN1; SMN2 Q16637 7/20 0.73
▸ KDM4E B2RXH2 4/20 0.73
▸ MAPT P10636 4/20 0.73
▸ CASP3 P42574 2/20 0.73
▸ SENP8 Q96LD8 2/20 0.73
▸ SENP7 Q9BQF6 2/20 0.73
▸ SENP6 Q9GZR1 2/20 0.73
▸ MEN1 O00255 2/20 0.73
▸ KMT2A Q03164 2/20 0.73
▸ NFKB1 P19838 1/20 0.73
▸ NFKB2 Q00653 1/20 0.73
▸ RELA Q04206 1/20 0.73
▸ ALDH1A1 P00352 5/20 0.72
▸ TP53 P04637 3/20 0.72
▸ HSD17B10 Q99714 2/20 0.72
▸ USP2 O75604 1/20 0.72
▸ RXFP1 Q9HBX9 1/20 0.67
▸ POLB P06746 1/20 0.65

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
SCHEMBL28466144 0.85 RAB9A (0.66) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL30166735 0.85 RAB9A (0.66) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL16334021 0.85 RAB9A (0.87) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL2244452 0.84 RAB9A (1.00) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL28468653 0.84 RAB9A (0.64) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL30166730 0.84 RAB9A (0.64) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL28466595 0.83 RAB9A (0.62) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL30166732 0.83 RAB9A (0.62) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL28460028 0.83 RAB9A (0.62) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL30166702 0.83 RAB9A (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022240213-A1 NOVEL BENZOTHIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF FOR PREVENTION OR TREATMENT OF LIVER DISEASE 에이치케이이노엔 주식회사 2022-11-17 — — WO disclosed
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