SCHEMBL8682116

SCHEMBL8682116

CCN1c2ccc(OC)cc2SC12Oc1c(cc([N+](=O)[O-])cc1OC)C=C2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.39
MAPT P10636 8/20 0.36
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
ALDH1A1 P00352 6/20 0.33
MAPK1 P28482 3/20 0.33
L3MBTL1 Q9Y468 5/20 0.33
HTT P42858 5/20 0.33
KDM4E B2RXH2 4/20 0.33
POLB P06746 3/20 0.33
GAA P10253 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALOX12 P18054 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSP90AA1 P07900 3/20 0.32
TLR9 Q9NR96 1/20 0.31
LMNA P02545 2/20 0.31
RECQL P46063 1/20 0.31
CBLB Q13191 1/20 0.31
CRHBP P24387 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
SCHEMBL8684906 0.89 MAPK1 (0.34) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL8680017 0.89 SNCA (0.44) SNCAMAPTKMT2AMEN1ALDH1A1
SCHEMBL8679998 0.86 SNCA (0.44) SNCAMAPTKMT2AMEN1ALDH1A1
SCHEMBL8680928 0.81 SNCA (0.41) SNCAMAPTKMT2AMEN1ALDH1A1
SCHEMBL8680592 0.79 MAPT (0.33) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL8682623 0.79 SNCA (0.36) SNCAMAPTKMT2AMEN1ALDH1A1
SCHEMBL8680669 0.79 SNCA (0.33) SNCAMAPTKMT2AMEN1MAPK1
SCHEMBL8682739 0.79 SMN1; SMN2 (0.33) SNCAMAPTKMT2AMEN1ALDH1A1
SCHEMBL8680050 0.78 SMN1; SMN2 (0.37) SNCAMAPTKMT2AMEN1ALDH1A1
SCHEMBL8684682 0.78 SNCA (0.32) SNCAMAPTKMT2AMEN1MAPK1

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