SCHEMBL5484016

SCHEMBL5484016

CN(CCCC(=O)c1cccnc1)N=O.CNC(=N)N(N=O)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
PLOD2 O00469 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLOD3 O60568 1/20 0.34
PLOD1 Q02809 1/20 0.34
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 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
SCHEMBL454516 0.83 HDAC1 (0.53) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL29367901 0.83 HDAC1 (0.53) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL420028 0.80 HDAC1 (0.50) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL20897346 0.80 HDAC1 (0.56) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL1684002 0.78 HDAC1 (0.52) HDAC1HDAC8PLOD2KMT2AMEN1
SCHEMBL1679777 0.77 HDAC1 (0.47) HDAC1HDAC8PLOD2KMT2AMEN1
SCHEMBL19958136 0.73 HDAC1 (0.52) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL14443343 0.70 HDAC1 (0.57) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL19582860 0.69 HDAC1 (0.56) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL18106043 0.68 HDAC1 (0.52) 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
WO-2007062198-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECHNOLOGY, INC. (US) 2007-05-31 WO disclosed