SCHEMBL8135922

SCHEMBL8135922

O=C(N[C@H]1CSCCN(CC=Cc2ccccc2)C1=O)c1ccc(OS(=O)(=O)O)cc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 10/20 0.77
▸ CASP1 P29466 2/20 0.46
▸ CASP8 Q14790 2/20 0.46
▸ MCHR1 Q99705 5/20 0.43
▸ CCR3 P51677 1/20 0.38

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
SCHEMBL8143902 0.87 SRC (1.00) SRCCASP1CASP8MCHR1
SCHEMBL8143905 0.87 SRC (1.00) SRCCASP1CASP8MCHR1
SCHEMBL8143937 0.86 SRC (0.77) SRCCASP1CASP8MCHR1CCR3
SCHEMBL8143939 0.86 SRC (0.77) SRCCASP1CASP8MCHR1CCR3
SCHEMBL8149119 0.86 SRC (0.71) SRCCASP1CASP8MCHR1CCR3
SCHEMBL8149116 0.86 SRC (0.71) SRCCASP1CASP8MCHR1CCR3
SCHEMBL8148759 0.82 SRC (0.70) SRCCASP1CASP8MCHR1CCR3
SCHEMBL8148754 0.82 SRC (0.70) SRCCASP1CASP8MCHR1CCR3
SCHEMBL8149500 0.81 SRC (0.70) SRCCASP1CASP8MCHR1CCR3
SCHEMBL8143728 0.79 SRC (0.67) SRCCASP1CASP8MCHR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000005246-A1 THIOAZEPINONE DERIVATIVES, PREPARATION METHOD AND INTERMEDIATES THEREFOR, USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME HOECHST MARION ROUSSEL (FR) 2000-02-03 — — WO claimed
WO-2000005246-A1 THIOAZEPINONE DERIVATIVES, PREPARATION METHOD AND INTERMEDIATES THEREFOR, USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME HOECHST MARION ROUSSEL (FR) 2000-02-03 — — WO disclosed
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