SCHEMBL9056475

SCHEMBL9056475

CCOC(CCC#N)(CCC#N)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CASP1 P29466 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL11859102 0.70 MEN1 (0.33) MEN1KMT2AGAA
SCHEMBL11509637 0.70 MEN1 (0.45) MEN1KMT2AGAA
SCHEMBL1406315 0.70 MEN1 (0.55) MEN1KMT2AGAA
SCHEMBL4756149 0.70 MEN1 (0.45) MEN1KMT2ACASP1
SCHEMBL15134535 0.69 MEN1 (0.44) MEN1KMT2A
SCHEMBL9629131 0.69 MEN1 (0.44) MEN1KMT2A
SCHEMBL11561721 0.69 MEN1 (0.44) MEN1KMT2AGAA
SCHEMBL9086970 0.69 MEN1 (0.44) MEN1KMT2AGAA
SCHEMBL9190525 0.68 MEN1 (0.44) MEN1KMT2ACASP1GAA
SCHEMBL25395739 0.67 MEN1 (0.42) MEN1KMT2A

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-1996014844-A1 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-05-23 WO disclosed