SCHEMBL287055

SCHEMBL287055

C/C(C(N)=O)=C(/c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C19 P33261 2/20 0.42
POLB P06746 2/20 0.42
CYP3A4 P08684 1/20 0.42
PARP1 P09874 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CES2 O00748 4/20 0.41
CES1 P23141 4/20 0.41
MAPK1 P28482 2/20 0.41
FBP1 P09467 2/20 0.41
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL287058 1.00 ALDH1A1 (0.42) ALDH1A1TSHRMAPTCYP2C19POLB
SCHEMBL2345993 0.85 CES2 (0.43) ALDH1A1TSHRPOLBTDP1L3MBTL1
SCHEMBL10995027 0.80 PRMT1 (0.54) ALDH1A1TSHRPOLBTDP1L3MBTL1
SCHEMBL7260785 0.80 PRMT1 (0.54) ALDH1A1TSHRPOLBTDP1L3MBTL1
SCHEMBL14935500 0.80 PRMT1 (0.54) ALDH1A1TSHRPOLBTDP1L3MBTL1
SCHEMBL9206410 0.79 FBP1 (0.52) ALDH1A1MAPTPOLBTDP1L3MBTL1
SCHEMBL8855374 0.77 PRMT1 (0.44) ALDH1A1TSHRMAPTCYP2C19POLB
SCHEMBL10501957 0.75 CES2 (0.44) ALDH1A1TSHRPOLBL3MBTL1CES2
SCHEMBL4744670 0.74 TSHR (0.54) ALDH1A1TSHRMAPTCYP2C19POLB
SCHEMBL4744665 0.74 TSHR (0.54) ALDH1A1TSHRMAPTCYP2C19POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427428-A1 O-IMINO-ISO-UREA COMPOUNDS AND POLYMERIZABLE COMPOSITIONS THEREOF BASF SE (DE) 2012-03-14 EP disclosed
EP-2411359-A1 NOVEL OLIGOFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2012-02-01 EP disclosed
WO-2010128062-A1 O-IMINO-ISO-UREA COMPOUNDS AND POLYMERIZABLE COMPOSITIONS THEREOF BASF SE (DE) 2010-11-11 WO disclosed
WO-2010108862-A1 NOVEL OLIGOFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2010-09-30 WO disclosed
EP-1782127-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR EASTMAN KODAK COMPANY (US) 2007-05-09 EP disclosed
WO-2006023667-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR EASTMAN KODAK COMPANY (US) 2006-03-02 WO disclosed