SCHEMBL23933811

SCHEMBL23933811

C=CCOC(Cc1ccccc1)C(=O)NC/C=C/CN

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 4/20 0.43
HDAC2 Q92769 1/20 0.42
PSAT1 Q9Y617 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PSMB5 P28074 1/20 0.37
MMP2 P08253 2/20 0.36

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
SCHEMBL23933814 1.00 SRR (0.43) SRRHDAC2PSAT1ALDH1A1PSMB5
SCHEMBL23933808 1.00 SRR (0.43) SRRHDAC2PSAT1ALDH1A1PSMB5
SCHEMBL23933802 0.87 SRR (0.43) SRRPSAT1PSMB5MMP2
SCHEMBL23933805 0.87 SRR (0.43) SRRPSAT1PSMB5MMP2
SCHEMBL23933829 0.85 SRR (0.46) SRR
SCHEMBL23933832 0.85 SRR (0.46) SRR
SCHEMBL23933826 0.85 SRR (0.46) SRR
SCHEMBL23933820 0.83 SRR (0.43) SRRHDAC2PSAT1PSMB5
SCHEMBL23933823 0.83 SRR (0.43) SRRHDAC2PSAT1PSMB5
SCHEMBL23933870 0.82 SRR (0.50) SRRPSAT1MMP2

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-2021217041-A1 N-SUBSTITUTED ALPHA-AMINO AND ALPHA-HYDROXY CARBOXAMIDE DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO claimed