SCHEMBL8680317

SCHEMBL8680317

COc1cc([N+](=O)[O-])cc2c1OC1(Sc3cc(C#N)ccc3N1C)C(C)=C2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.32
SNCA P37840 1/20 0.31
ESRRA P11474 1/20 0.31
VCAM1 P19320 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
SCHEMBL8680928 0.89 SNCA (0.41) ALDH1A1LMNAMAPTHTTSNCA
SCHEMBL8680017 0.87 SNCA (0.44) ALDH1A1LMNAMAPTHTTSNCA
SCHEMBL8680669 0.86 SNCA (0.33) MAPTHTTSNCA
SCHEMBL8682623 0.86 SNCA (0.36) ALDH1A1LMNAMAPTHTTSNCA
SCHEMBL8682739 0.86 SMN1; SMN2 (0.33) ALDH1A1LMNAMAPTHTTSNCA
SCHEMBL8680050 0.85 SMN1; SMN2 (0.37) ALDH1A1LMNAMAPTHTTSNCA
SCHEMBL8684682 0.85 SNCA (0.32) MAPTHTTSNCA
SCHEMBL31408943 0.85 SNCA (0.32) MAPTHTTSNCA
SCHEMBL8680614 0.84 MEN1 (0.38) ALDH1A1MAPTSNCA
SCHEMBL8681215 0.81 HTT (0.33) ALDH1A1LMNAMAPTHTTSNCA

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