SCHEMBL9753424

SCHEMBL9753424

CC(C#N)CC1CCCCC1=NO

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL9753423 1.00 ALDH1A1 (0.31) ALDH1A1KDM4E
SCHEMBL6922607 0.82 KMT2A (0.35) ALDH1A1KDM4E
SCHEMBL27452592 0.76 NOS1 (0.41) ALDH1A1KDM4E
SCHEMBL6978793 0.75 ALDH1A1 (0.36) ALDH1A1KDM4E
SCHEMBL6978788 0.75 ALDH1A1 (0.36) ALDH1A1KDM4E
SCHEMBL20980031 0.74
SCHEMBL9655318 0.74 KMT2A (0.40) ALDH1A1KDM4E
SCHEMBL9753178 0.72 ALDH1A1 (0.35) ALDH1A1KDM4E
SCHEMBL9753179 0.72 ALDH1A1 (0.35) ALDH1A1KDM4E
SCHEMBL4039461 0.72 NOS3 (0.37) ALDH1A1KDM4E

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-1991017979-A1 PROCESS FOR THE PREPARATION OF 2-N-ACYLAMINOPYRIDINES AND 2-AMINOPYRIDINES FROM 5-OXOALKANENITRILE OXIMES DSM N.V. (NL) 1991-11-28 WO disclosed