SCHEMBL8680279

SCHEMBL8680279

CCC1=Cc2cc([N+](=O)[O-])ccc2OC12Oc1ccccc1N2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD1 P21728 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A4 P31645 1/20 0.39
DRD3 P35462 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GFER P55789 1/20 0.36
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA9 Q16790 2/20 0.34
P2RX4 Q99571 1/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34

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
SCHEMBL2535787 0.87 MEN1 (0.41) CHRM2HTR1AADRA2ADRD1PTGS1
SCHEMBL8680101 0.80 SNCA (0.37) CHRM2HTR1AADRA2ADRD1PTGS1
SCHEMBL8684959 0.76 L3MBTL1 (0.39) MEN1KMT2AMAPTHTTL3MBTL1
SCHEMBL8683886 0.76 MEN1 (0.37) MEN1KMT2AMAPTHTTL3MBTL1
SCHEMBL8862551 0.76 L3MBTL1 (0.38) CHRM2HTR1AADRA2ADRD1PTGS1
SCHEMBL8684867 0.74 MEN1 (0.36) DRD3MEN1KMT2AMAPTL3MBTL1
SCHEMBL8680198 0.74 L3MBTL1 (0.42) CHRM2HTR1AADRA2ADRD1PTGS1
SCHEMBL8862584 0.73 SNCA (0.35) CHRM2HTR1AADRA2ADRD1PTGS1
SCHEMBL8684964 0.72 MEN1 (0.35) MEN1KMT2AMAPTHTTL3MBTL1
SCHEMBL8680280 0.72 SMN1; SMN2 (0.45) CHRM2HTR1AADRA2ADRD1PTGS1

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