SCHEMBL16690182

SCHEMBL16690182

CCC(=NOC(C)=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.43
CES1 P23141 1/20 0.42
NQO2 P16083 1/20 0.42
MAOB P27338 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 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
SCHEMBL16690183 0.89 MAPT (0.46) MAPK1MAPTKMT2AALDH1A1HTT
SCHEMBL16690160 0.87 MAPT (0.45) MAPK1MAPTKMT2AALDH1A1POLB
SCHEMBL17973404 0.87 MAPK1 (0.45) MAPK1MAPTKMT2AALDH1A1HTT
SCHEMBL16690156 0.85 ALDH1A1 (0.51) MAPK1MAPTKMT2AALDH1A1POLB
SCHEMBL16690223 0.84 CES1 (0.47) MAPK1MAPTKMT2AALDH1A1HTT
SCHEMBL16690170 0.83 MAPK1 (0.53) MAPK1MAPTKMT2AALDH1A1HTT
SCHEMBL16690221 0.81 CES1 (0.53) MAPK1MAPTKMT2AALDH1A1GAA
SCHEMBL17973538 0.80 MAPK1 (0.49) MAPK1MAPTKMT2AALDH1A1GAA
SCHEMBL16690175 0.79 HDAC3 (0.46) MAPK1MAPTKMT2AALDH1A1POLB
SCHEMBL16690239 0.78 MAPK1 (0.56) MAPK1MAPTKMT2AALDH1A1POLB

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