SCHEMBL8680669

SCHEMBL8680669

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31

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 0.91 SNCA (0.41) SNCAMEN1KMT2AHTTMAPK1
SCHEMBL8680017 0.90 SNCA (0.44) SNCAMEN1KMT2APOLBHTT
SCHEMBL8682623 0.89 SNCA (0.36) SNCAMEN1KMT2APOLBHTT
SCHEMBL8682739 0.89 SMN1; SMN2 (0.33) SNCAMEN1KMT2AHTTMAPK1
SCHEMBL8680050 0.87 SMN1; SMN2 (0.37) SNCAMEN1KMT2AHTTMAPK1
SCHEMBL8684682 0.87 SNCA (0.32) SNCAMEN1KMT2AHTTMAPK1
SCHEMBL31408943 0.87 SNCA (0.32) SNCAMEN1KMT2AHTTMAPK1
SCHEMBL8680614 0.86 MEN1 (0.38) SNCAMEN1KMT2APOLBSMN1; SMN2
SCHEMBL8680317 0.86 ABCC9 (0.33) SNCAHTTMAPT
SCHEMBL8681215 0.83 HTT (0.33) SNCAMEN1KMT2AHTTMAPK1

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