SCHEMBL16690170

SCHEMBL16690170

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
POLB P06746 2/20 0.50
TSHR P16473 1/20 0.49
CES1 P23141 1/20 0.47
XDH P47989 1/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 4/20 0.46
NQO2 P16083 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NOS1 P29475 1/20 0.45

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
SCHEMBL9962608 0.88 SRD5A2 (0.55) MAPK1POLBTSHRCES1XDH
SCHEMBL9962625 0.87 MAPK1 (0.49) MAPK1TSHRCES1XDHCA1
SCHEMBL16690172 0.86 MAPK1 (0.47) MAPK1POLBTSHRXDHGAA
SCHEMBL9962609 0.86 GAA (0.51) MAPK1POLBTSHRCES1XDH
SCHEMBL16690221 0.85 CES1 (0.53) MAPK1POLBTSHRCES1CA1
SCHEMBL16690171 0.84 TTR (0.40) MAPK1POLBTSHRXDHGAA
SCHEMBL17973538 0.84 MAPK1 (0.49) MAPK1POLBTSHRCES1CA1
SCHEMBL13192526 0.84 XDH (0.47) MAPK1POLBTSHRCES1XDH
SCHEMBL16690157 0.84 BCL9 (0.53) MAPK1POLBTSHRGAAALDH1A1
SCHEMBL16690182 0.83 MAPK1 (0.47) MAPK1POLBTSHRCES1CA1

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