SCHEMBL8143728

SCHEMBL8143728

O=C(O)COc1cccc(C(=O)N[C@H]2CSCCN(CC=Cc3ccccc3)C2=O)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 7/20 0.67
▸ MCHR1 Q99705 5/20 0.49
▸ CASP1 P29466 3/20 0.45
▸ CASP8 Q14790 2/20 0.45
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PPARG P37231 2/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL8148759 0.82 SRC (0.70) SRCMCHR1CASP1CASP8
SCHEMBL8148754 0.82 SRC (0.70) SRCMCHR1CASP1CASP8
SCHEMBL8143939 0.81 SRC (0.77) SRCMCHR1CASP1CASP8
SCHEMBL8143937 0.81 SRC (0.77) SRCMCHR1CASP1CASP8
SCHEMBL8143905 0.80 SRC (1.00) SRCMCHR1CASP1CASP8
SCHEMBL8143902 0.80 SRC (1.00) SRCMCHR1CASP1CASP8
SCHEMBL8135922 0.79 SRC (0.77) SRCMCHR1CASP1CASP8
SCHEMBL8149500 0.78 SRC (0.70) SRCMCHR1CASP1CASP8
SCHEMBL8149116 0.77 SRC (0.71) SRCMCHR1CASP1CASP8
SCHEMBL8149119 0.77 SRC (0.71) SRCMCHR1CASP1CASP8

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-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
Send feedback