SCHEMBL8685181

SCHEMBL8685181

COc1ccc2c(c1)SC1(Oc3ccc([N+](=O)[O-])cc3C=C1C)N2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.50
MAPT P10636 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 3/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PAX8 Q06710 1/20 0.35
GFER P55789 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL8680938 0.91 MEN1 (0.38) SNCAMAPTALDH1A1MEN1KMT2A
SCHEMBL8679998 0.89 SNCA (0.44) SNCAMAPTALDH1A1MAPK1MEN1
SCHEMBL8680419 0.86 MEN1 (0.36) SNCAMAPTALDH1A1MEN1KMT2A
SCHEMBL8680017 0.85 SNCA (0.44) SNCAMAPTALDH1A1MAPK1KDM4E
SCHEMBL8678921 0.85 SNCA (0.38) SNCAMAPTMAPK1MEN1KMT2A
SCHEMBL8680463 0.84 MEN1 (0.35) SNCAMAPTMEN1KMT2AL3MBTL1
SCHEMBL8680439 0.84 SNCA (0.40) SNCAMAPTALDH1A1MAPK1MEN1
SCHEMBL8680928 0.81 SNCA (0.41) SNCAMAPTALDH1A1MAPK1MEN1
SCHEMBL8680754 0.81 SMN1; SMN2 (0.40) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL8682623 0.75 SNCA (0.36) SNCAMAPTALDH1A1MAPK1KDM4E

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