SCHEMBL14747742

SCHEMBL14747742

CC(C)(C)OS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
POLB P06746 2/20 0.57
KMT2A Q03164 2/20 0.57
PKM P14618 1/20 0.57
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
MAPT P10636 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
FFAR4 Q5NUL3 1/20 0.45
LMNA P02545 1/20 0.43
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
GAA P10253 2/20 0.42
NSD2 O96028 1/20 0.42
PLCG1 P19174 1/20 0.42
DNMT1 P26358 1/20 0.42

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
SCHEMBL1645883 0.83 ALDH1A1 (0.62) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL14747747 0.80 ALDH1A1 (0.59) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL11888426 0.79 HCAR3 (0.48) ALDH1A1POLBKMT2APKMTDP1
SCHEMBL11458496 0.78 APEX1 (0.53) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL11887270 0.77 CA1 (0.50) ALDH1A1POLBKMT2AMAPTCA9
SCHEMBL913390 0.77 ALDH1A1 (0.68) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL1564742 0.77 KMT2A (0.67) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL30932792 0.77 KMT2A (0.67) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL31647123 0.76 ALDH1A1 (0.57) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL10892487 0.75 TSHR (0.58) ALDH1A1MEN1POLBKMT2APKM

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-8389564-B2 Proteasome inhibitors TRIPHASE RESEARCH AND DEVELOPMENT I CORP. (CA) 2013-03-05 US disclosed