SCHEMBL8685199

SCHEMBL8685199

COc1ccc(OC)c2c1N(C)C1(C=Cc3cccc([N+](=O)[O-])c3O1)C2(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 5/20 0.36
L3MBTL1 Q9Y468 3/20 0.34
MEN1 O00255 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
CYP19A1 P11511 1/20 0.31
GAA P10253 3/20 0.31
TLR3 O15455 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL8680182 0.89 MAPT (0.39) ALDH1A1TDP1MAPTL3MBTL1MEN1
SCHEMBL8680038 0.88 SMN1; SMN2 (0.35) ALDH1A1TDP1MAPTMEN1GFER
SCHEMBL8680028 0.87 MAPK1 (0.34) ALDH1A1TDP1MAPTMEN1GFER
SCHEMBL8682356 0.86 GAA (0.32) TDP1MAPTMEN1KMT2ALMNA
SCHEMBL8679985 0.84 LMNA (0.35) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL8680139 0.83 HTT (0.37) ALDH1A1TDP1MAPTMEN1GFER
SCHEMBL8680132 0.80 PDE4D (0.32) TDP1LMNAHTT
SCHEMBL8680010 0.80 KDM4E (0.30) MAPTGAAKDM4E
SCHEMBL8680578 0.79 MEN1 (0.51) ALDH1A1TDP1MAPTMEN1GFER
SCHEMBL8685119 0.79 MAPT (0.41) ALDH1A1TDP1MAPTL3MBTL1MEN1

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