SCHEMBL8680233

SCHEMBL8680233

CCN1c2ccccc2C=CC12C=Cc1cc([N+](=O)[O-])ccc1O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
GFER P55789 1/20 0.42
HIF1A Q16665 5/20 0.41
EPAS1 Q99814 5/20 0.41
TLR3 O15455 2/20 0.40
MAPT P10636 6/20 0.39
HTT P42858 1/20 0.39
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
LMNA P02545 3/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD1 P21728 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A4 P31645 1/20 0.37
DRD3 P35462 1/20 0.37
GAA P10253 3/20 0.36

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
SCHEMBL8688282 0.86 MEN1 (0.47) MEN1KMT2AGFERHIF1AEPAS1
SCHEMBL8682725 0.80 NPSR1 (0.39) MEN1KMT2AMAPTHTTLMNA
SCHEMBL8685128 0.80 MAPT (0.54) MEN1KMT2AGFERHIF1AEPAS1
SCHEMBL13326514 0.80 MAPT (0.54) MEN1KMT2AGFERHIF1AEPAS1
SCHEMBL8679926 0.79 MEN1 (0.41) MEN1KMT2AGFERHIF1AEPAS1
SCHEMBL6426663 0.78 MEN1 (0.47) MEN1KMT2AGFERHIF1AEPAS1
SCHEMBL8682469 0.77 MAPT (0.40) KMT2AMAPTHTTCA9CA1
SCHEMBL8685132 0.76 TLR3 (0.46) MEN1KMT2AGFERHIF1AEPAS1
SCHEMBL12855110 0.74 MAPT (0.57) MEN1KMT2AGFERHIF1AEPAS1
SCHEMBL11786792 0.74 MAPT (0.57) MEN1KMT2AGFERHIF1AEPAS1

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
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US claimed
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US disclosed
US-5710420-A Method for embedding and recovering machine-readable information XEROX CORPORATION (US) 1998-01-20 US disclosed
US-5633109-A Ink compositions with liposomes containing photochromic compounds XEROX CORPORATION (US) 1997-05-27 US disclosed
US-5593486-A Photochromic hot melt ink compositions XEROX CORPORATION (US) 1997-01-14 US disclosed
US-5551973-A LIQUID CRYSTAL GEL PHASE, MICROEMULSION PHASE XEROX CORPORATION (US) 1996-09-03 US disclosed