SCHEMBL16690240

SCHEMBL16690240

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
ALDH1A1 P00352 8/20 0.48
KMT2A Q03164 6/20 0.48
POLB P06746 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 4/20 0.45
PGR P06401 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 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
SCHEMBL16690241 0.87 ALDH1A1 (0.44) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL16690142 0.86 ATM (0.51) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL16690169 0.85 ATM (0.49) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL16690244 0.83 ALDH1A1 (0.41) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL17973373 0.82 ATM (0.50) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL17973433 0.78 ALDH1A1 (0.56) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL16690170 0.78 MAPK1 (0.53) ALDH1A1KMT2APOLBL3MBTL1MAPT
SCHEMBL17973368 0.76 ALDH1A1 (0.56) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL16690221 0.76 CES1 (0.53) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL16690205 0.75 ALDH1A1 (0.58) ATMALDH1A1KMT2APOLBL3MBTL1

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