SCHEMBL4962574

SCHEMBL4962574

O=C(CCC[N+](=O)[O-])c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.57
HDAC8 Q9BY41 1/20 0.57
PLOD2 O00469 2/20 0.51
PLOD3 O60568 1/20 0.47
PLOD1 Q02809 1/20 0.47
ALDH1A1 P00352 2/20 0.46
APP P05067 1/20 0.46
GAA P10253 1/20 0.46
HCAR3 P49019 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
CYP2C9 P11712 2/20 0.46
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 3/20 0.45
F7 P08709 1/20 0.45

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
SCHEMBL6518960 0.85 HDAC1 (0.57) HDAC1HDAC8PLOD2PLOD3PLOD1
SCHEMBL11367850 0.81 PLOD2 (0.57) HDAC1HDAC8PLOD2PLOD3PLOD1
SCHEMBL25423191 0.80 MAPT (0.62) HDAC1HDAC8ALDH1A1GAAMEN1
SCHEMBL1684002 0.80 HDAC1 (0.52) HDAC1HDAC8PLOD2PLOD3PLOD1
SCHEMBL7075878 0.80 PLOD2 (0.69) HDAC1HDAC8PLOD2PLOD3PLOD1
SCHEMBL2945748 0.79 HDAC1 (0.65) HDAC1HDAC8PLOD2PLOD3PLOD1
SCHEMBL30096366 0.79 HDAC1 (0.65) HDAC1HDAC8PLOD2PLOD3PLOD1
SCHEMBL8545882 0.78 HDAC1 (0.68) HDAC1HDAC8PLOD2PLOD3PLOD1
SCHEMBL3939109 0.78 HDAC1 (0.63) HDAC1HDAC8PLOD2TBXAS1HDAC6
SCHEMBL552456 0.78 HDAC1 (0.63) HDAC1HDAC8PLOD2PLOD3PLOD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891038-A2 SUBSTITUTED N-ARYLPYRROLIDINES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-02-27 EP disclosed
WO-2006124447-A2 SUBSTITUTED N-ARYLPYRROLIDINES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-11-23 WO disclosed