SCHEMBL13192526

SCHEMBL13192526

CC(=O)O/N=C(\C)c1ccc(P(c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KMT2A Q03164 5/20 0.44
ALPI P09923 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 6/20 0.43
TDP1 Q9NUW8 1/20 0.43
PKM P14618 2/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL267741 0.85 CES1 (0.52) XDHCES2CES1SMN1; SMN2MAPK1
SCHEMBL9962620 0.84 SMN1; SMN2 (0.42) XDHCES2CES1SMN1; SMN2MAPK1
SCHEMBL16690170 0.84 MAPK1 (0.53) XDHCES1MAPK1KMT2APOLB
SCHEMBL9962608 0.81 SRD5A2 (0.55) XDHCES1SMN1; SMN2MAPK1NPC1
SCHEMBL9962625 0.80 MAPK1 (0.49) XDHCES1SMN1; SMN2MAPK1KMT2A
SCHEMBL9962609 0.79 GAA (0.51) XDHCES1SMN1; SMN2MAPK1NPC1
SCHEMBL16690239 0.76 MAPK1 (0.56) CES2CES1SMN1; SMN2MAPK1NPC1
SCHEMBL27852524 0.76 MAPK1 (0.58) CES2CES1SMN1; SMN2MAPK1NPC1
SCHEMBL212911 0.75 MAPT (0.60) CES2CES1SMN1; SMN2MAPK1POLB
SCHEMBL14667470 0.75 MAPT (0.60) CES2CES1SMN1; SMN2MAPK1POLB

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
EP-2223910-A1 OXIME ESTERS AND PHOTOPOLYMERIZATION INITIATORS CONTAINING THE SAME Adeka Corporation (JP) 2010-09-01 EP disclosed