SCHEMBL16690241

SCHEMBL16690241

CC(=O)O/N=C(/c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
ATM Q13315 1/20 0.43
KMT2A Q03164 6/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 7/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 4/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL16690140 0.88 ALDH1A1 (0.42) ALDH1A1ATMKMT2APOLBL3MBTL1
SCHEMBL16690240 0.87 ATM (0.53) ALDH1A1ATMKMT2APOLBL3MBTL1
SCHEMBL16690188 0.87 ALDH1A1 (0.41) ALDH1A1ATMKMT2APOLBL3MBTL1
SCHEMBL16690244 0.87 ALDH1A1 (0.41) ALDH1A1ATMKMT2APOLBL3MBTL1
SCHEMBL16690207 0.83 ALDH1A1 (0.53) ALDH1A1ATMKMT2APOLBL3MBTL1
SCHEMBL16690171 0.82 TTR (0.40) ALDH1A1KMT2APOLBL3MBTL1MAPT
SCHEMBL16690222 0.81 CES2 (0.42) ALDH1A1KMT2AL3MBTL1MAPTGAA
SCHEMBL16690237 0.79 ALDH1A1 (0.53) ALDH1A1ATMKMT2APOLBL3MBTL1
SCHEMBL16690210 0.79 ALDH1A1 (0.53) ALDH1A1ATMKMT2APOLBL3MBTL1
SCHEMBL16690220 0.78 ALDH1A1 (0.49) ALDH1A1ATMKMT2APOLBL3MBTL1

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-2015064958-A1 NOVEL OXIME ESTER BIPHENYL COMPOUND, PHOTO INITIATOR AND PHOTOSENSITIVE RESIN COMPOSITION CONTAINING SAME 한국화학연구원 2015-05-07 WO disclosed