SCHEMBL17973373

SCHEMBL17973373

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
ALDH1A1 P00352 8/20 0.46
KMT2A Q03164 6/20 0.46
POLB P06746 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 3/20 0.44
MEN1 O00255 4/20 0.43
PGR P06401 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
EPHX2 P34913 1/20 0.39

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
SCHEMBL17973368 0.83 ALDH1A1 (0.56) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL16690240 0.82 ATM (0.53) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL17973404 0.81 MAPK1 (0.45) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL16690142 0.81 ATM (0.51) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL16690169 0.79 ATM (0.49) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL17973369 0.79 ATM (0.48) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL16690182 0.78 MAPK1 (0.47) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL18012789 0.78 ATM (0.38) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL16690160 0.74 MAPT (0.45) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL17973407 0.74 PGR (0.57) ATMALDH1A1KMT2APOLBMAPT

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-2016122160-A1 NOVEL DIOXIMESTER COMPOUND, AND PHOTOPOLYMERIZATION INITIATOR AND PHOTORESIST COMPOSITION CONTAINING SAME 주식회사 삼양사 2016-08-04 WO disclosed