SCHEMBL8684682

SCHEMBL8684682

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.32
HTT P42858 1/20 0.31
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL31408943 1.00 SNCA (0.32) SNCAHTTMAPK1SMN1; SMN2MEN1
SCHEMBL8680928 0.90 SNCA (0.41) SNCAHTTMAPK1SMN1; SMN2MEN1
SCHEMBL8680017 0.88 SNCA (0.44) SNCAHTTMAPK1SMN1; SMN2MEN1
SCHEMBL8680669 0.87 SNCA (0.33) SNCAHTTMAPK1SMN1; SMN2MEN1
SCHEMBL8682623 0.87 SNCA (0.36) SNCAHTTMAPK1SMN1; SMN2MEN1
SCHEMBL8682739 0.87 SMN1; SMN2 (0.33) SNCAHTTMAPK1SMN1; SMN2MEN1
SCHEMBL8680050 0.86 SMN1; SMN2 (0.37) SNCAHTTMAPK1SMN1; SMN2MEN1
SCHEMBL8680614 0.85 MEN1 (0.38) SNCASMN1; SMN2MEN1MAPTKMT2A
SCHEMBL8680317 0.85 ABCC9 (0.33) SNCAHTTMAPT
SCHEMBL8680463 0.83 MEN1 (0.35) SNCAMEN1MAPTKMT2A

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