SCHEMBL16690149

SCHEMBL16690149

CCCCCCCC(=O)O/N=C(\C)c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 8/20 0.41
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 3/20 0.40
GAA P10253 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL16690159 0.96 ALDH1A1 (0.48) ALDH1A1TDP1MAPTKMT2AKDM4E
SCHEMBL16690165 0.92 ALDH1A1 (0.43) ALDH1A1TDP1MAPTKMT2AKDM4E
SCHEMBL16690173 0.88 MAPT (0.42) ALDH1A1TDP1MAPTKMT2AKDM4E
SCHEMBL16690152 0.88 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL16690272 0.87 ALDH1A1 (0.47) ALDH1A1TDP1MAPTKMT2AKDM4E
SCHEMBL16690154 0.87 KMT2A (0.46) ALDH1A1TDP1MAPTKMT2AKDM4E
SCHEMBL16690161 0.85 ALDH1A1 (0.43) ALDH1A1TDP1MAPTKMT2AKDM4E
SCHEMBL16690166 0.83 MAPT (0.51) ALDH1A1TDP1MAPTKMT2AKDM4E
SCHEMBL16690171 0.83 TTR (0.40) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL16690178 0.83 ALDH1A1 (0.42) ALDH1A1TDP1MAPTKMT2AKDM4E

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