SCHEMBL16690171

SCHEMBL16690171

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
KMT2A Q03164 4/20 0.40
MAPK1 P28482 4/20 0.40
ALPI P09923 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GPR35 Q9HC97 1/20 0.39
MAPT P10636 7/20 0.39
GAA P10253 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 1/20 0.39
CASP6 P55212 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
XDH P47989 1/20 0.38
CES2 O00748 1/20 0.38
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL16690222 0.89 CES2 (0.42) TTRKMT2AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL16690173 0.89 MAPT (0.42) TTRKMT2AMAPK1ALPIALDH1A1
SCHEMBL16690165 0.87 ALDH1A1 (0.43) KMT2AMAPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL16690246 0.86 CES2 (0.45) TTRKMT2AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL16690159 0.85 ALDH1A1 (0.48) KMT2AMAPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL16690170 0.84 MAPK1 (0.53) KMT2AMAPK1ALDH1A1TSHRMAPT
SCHEMBL16690155 0.84 ALDH1A1 (0.50) KMT2AALPIALDH1A1MAPTMEN1
SCHEMBL16690144 0.83 CES2 (0.48) TTRKMT2AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL16690149 0.83 ALDH1A1 (0.47) KMT2AMAPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL16690241 0.82 ALDH1A1 (0.44) KMT2AALDH1A1MAPTGAAMEN1

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