SCHEMBL21758843

SCHEMBL21758843

C=C(CCC#N)c1ccc(N)c(N)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL21758846 0.80 CYP19A1 (0.41)
SCHEMBL24633879 0.77 PDE4A (0.37) MEN1KMT2ATDP1
SCHEMBL21758757 0.73 GSK3B (0.43) MEN1KMT2A
SCHEMBL21758849 0.73 ALDH1A1 (0.37) MEN1KMT2ATDP1
SCHEMBL23963002 0.72 PDE4A (0.39) MEN1KMT2ATDP1
SCHEMBL21758828 0.72 MAOA (0.44) KMT2A
SCHEMBL21758845 0.70 CTSL (0.35)
SCHEMBL21758833 0.69 ALDH1A1 (0.38) MEN1KMT2A
SCHEMBL21758759 0.69 ALDH1A1 (0.37)
SCHEMBL21758848 0.69 LOXL2 (0.35)

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-2020040840-A2 EXPANDING THE CHEMICAL SUBSTRATES FOR GENETIC CODE REPROGRAMMING NORTHWESTERN UNIVERSITY (US) 2020-02-27 WO disclosed