SCHEMBL4651024

SCHEMBL4651024

O=[N+]([O-])c1ccc(Cl)cc1-c1cc[c]cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
TSHR P16473 1/20 0.53
VCAM1 P19320 1/20 0.46
POLB P06746 3/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 6/20 0.42
KIF18A Q8NI77 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE7A Q13946 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MITF O75030 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
MCL1 Q07820 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE7B Q9NP56 1/20 0.39

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
SCHEMBL9261807 0.83 ALDH1A1 (0.61) MAPK1TSHRVCAM1POLBLMNA
SCHEMBL11516745 0.82 MAPK1 (0.69) MAPK1TSHRVCAM1POLBLMNA
SCHEMBL3538212 0.80 TSHR (0.55) TSHRLMNAALDH1A1TDP1MAPT
SCHEMBL27539965 0.80 MEN1 (0.48) MAPK1TSHRLMNAALDH1A1TDP1
SCHEMBL25941799 0.80 ALDH1A1 (0.58) MAPK1TSHRLMNAALDH1A1KIF18A
SCHEMBL23166960 0.80 MAPK1 (0.53) MAPK1TSHRVCAM1POLBLMNA
SCHEMBL2551739 0.80 MAPK1 (0.53) MAPK1TSHRVCAM1POLBLMNA
SCHEMBL13982827 0.80 MAPK1 (0.53) MAPK1TSHRVCAM1POLBLMNA
SCHEMBL28864223 0.80 TDP1 (0.53) MAPK1TSHRVCAM1POLBALDH1A1
SCHEMBL25615089 0.79 TSHR (0.51) MAPK1TSHRVCAM1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973916-A1 PYRROLO Ýl,2-A¨QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF Faust Pharmaceuticals (FR) 2008-10-01 EP disclosed
WO-2007071379-A1 PYRROLO [l,2-A]QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2007-06-28 WO disclosed
EP-1399412-A1 PHOTOLABILE ESTERS AND THEIR USES The Institute of Cancer Research (GB) 2004-03-24 EP disclosed
WO-2003000644-A1 PHOTOLABILE ESTERS AND THEIR USES THE INSTITUTE OF CANCER RESEARCH (GB) 2003-01-03 WO disclosed