SCHEMBL14747747

SCHEMBL14747747

CCOS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
POLB P06746 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
PKM P14618 2/20 0.59
TSHR P16473 1/20 0.51
MAPT P10636 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
LMNA P02545 4/20 0.48
FFAR4 Q5NUL3 1/20 0.46
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NSD2 O96028 1/20 0.43
GAA P10253 1/20 0.43
PLCG1 P19174 1/20 0.43

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
SCHEMBL28060072 0.84 MEN1 (0.56) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL1645883 0.84 ALDH1A1 (0.62) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL9349244 0.82 ALDH1A1 (0.64) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL11888407 0.81 LMNA (0.52) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL14747742 0.80 ALDH1A1 (0.57) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL11743952 0.79 ALDH1A1 (0.50) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL11449469 0.79 MAPT (0.53) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL4456811 0.78 CA1 (0.50) ALDH1A1POLBTSHRMAPTCYP3A4
SCHEMBL913390 0.78 ALDH1A1 (0.68) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL13969656 0.78 PRMT5 (0.64) ALDH1A1MEN1KMT2ATSHRMAPT

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