SCHEMBL19958136

SCHEMBL19958136

C=NN(C)CCCC(=O)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.52
HDAC8 Q9BY41 1/20 0.52
PLOD2 O00469 2/20 0.47
KMT2A Q03164 1/20 0.44
PLOD3 O60568 1/20 0.43
PLOD1 Q02809 1/20 0.43
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
ALDH1A1 P00352 3/20 0.41
APP P05067 1/20 0.41
GAA P10253 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41

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
SCHEMBL29367901 0.88 HDAC1 (0.53) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL454516 0.88 HDAC1 (0.53) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL420028 0.84 HDAC1 (0.50) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL20897346 0.84 HDAC1 (0.56) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL14443343 0.83 HDAC1 (0.57) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL19582860 0.82 HDAC1 (0.56) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL3210526 0.80 HDAC1 (0.61) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL1684002 0.78 HDAC1 (0.52) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL23265005 0.78 PLOD2 (0.56) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL31686043 0.78 PLOD2 (0.56) HDAC1HDAC8PLOD2KMT2APLOD3

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-20180070627-A1 Improvements in methods of treating tobacco BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2018-03-15 US disclosed