SCHEMBL14520490

SCHEMBL14520490

CC(C#N)(CCC(=O)O)/N=N\C(C)(C#N)CCC(=O)NCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RECQL P46063 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
GPR18 Q14330 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33

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
SCHEMBL27672 0.85 NAALAD2 (0.38) ALDH1A1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL786277 0.85 NAALAD2 (0.38) ALDH1A1MEN1KMT2ACYP3A4HSD17B10
Hydrogen Peroxide SCHEMBL5680211 0.85 NAALAD2 (0.38) ALDH1A1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL27673 0.85 NAALAD2 (0.38) ALDH1A1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL1628699 0.85 NAALAD2 (0.38) ALDH1A1MEN1KMT2ACYP3A4HSD17B10
Hydrogen Peroxide SCHEMBL5680213 0.85 NAALAD2 (0.38) ALDH1A1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL3230838 0.84 NAALAD2 (0.35) ALDH1A1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL3230841 0.84 NAALAD2 (0.35) ALDH1A1MEN1KMT2ACYP3A4HSD17B10
Ammonia Solution, Strong SCHEMBL4143583 0.84 NAALAD2 (0.37) ALDH1A1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL17181746 0.84 NAALAD2 (0.37) ALDH1A1MEN1KMT2ACYP3A4HSD17B10

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
US-20070087447-A1 System and method of free radical initiated protein sequencing CALIFORNIA INSTITUTE OF TECHNOLOGY 2007-04-19 US disclosed