SCHEMBL8680463

SCHEMBL8680463

CSc1ccc2c(c1)SC1(Oc3ccc([N+](=O)[O-])cc3C=C1C)N2C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
SNCA P37840 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CASP1 P29466 1/20 0.31
CASP3 P42574 1/20 0.31
CASP4 P49662 1/20 0.31
CASP7 P55210 1/20 0.31
CASP9 P55211 1/20 0.31
CASP6 P55212 1/20 0.31
MAPT P10636 1/20 0.31
CDK2 P24941 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 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
SCHEMBL8680938 0.91 MEN1 (0.38) MEN1GFERKMT2ARAB9ASNCA
SCHEMBL8680419 0.86 MEN1 (0.36) MEN1GFERKMT2ARAB9ASNCA
SCHEMBL8678921 0.85 SNCA (0.38) MEN1GFERKMT2ARAB9ASNCA
SCHEMBL8685181 0.84 SNCA (0.50) MEN1GFERKMT2ARAB9APAX8
SCHEMBL8680439 0.84 SNCA (0.40) MEN1GFERKMT2APAX8SNCA
SCHEMBL8681148 0.84
SCHEMBL31408943 0.83 SNCA (0.32) MEN1KMT2ASNCAMAPT
SCHEMBL8680754 0.81 SMN1; SMN2 (0.40) MEN1GFERKMT2AMAPT
SCHEMBL8680928 0.75 SNCA (0.41) MEN1KMT2ARAB9ASNCAL3MBTL1
SCHEMBL8680101 0.75 SNCA (0.37) MEN1GFERKMT2ARAB9ASNCA

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