SCHEMBL8680419

SCHEMBL8680419

CC1=Cc2cc([N+](=O)[O-])ccc2OC12Sc1cc(N)ccc1N2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 4/20 0.33
CYP3A4 P08684 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
SNCA P37840 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 4/20 0.32
RAB9A P51151 3/20 0.32
LMNA P02545 1/20 0.32
TLR9 Q9NR96 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
CASP1 P29466 1/20 0.32
CASP3 P42574 1/20 0.32
CASP4 P49662 1/20 0.32
CASP7 P55210 1/20 0.32
CASP9 P55211 1/20 0.32
CASP6 P55212 1/20 0.32

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 0.93 MEN1 (0.38) MEN1KMT2AGFERALDH1A1TDP1
SCHEMBL8678921 0.86 SNCA (0.38) MEN1KMT2AGFERSNCAL3MBTL1
SCHEMBL8680463 0.86 MEN1 (0.35) MEN1KMT2AGFERSNCAL3MBTL1
SCHEMBL8685181 0.86 SNCA (0.50) MEN1KMT2AGFERALDH1A1TDP1
SCHEMBL8680439 0.86 SNCA (0.40) MEN1KMT2AGFERALDH1A1CYP3A4
SCHEMBL8680754 0.83 SMN1; SMN2 (0.40) MEN1KMT2AGFERALDH1A1MAPT
SCHEMBL8680928 0.77 SNCA (0.41) MEN1KMT2AALDH1A1TDP1SNCA
SCHEMBL8680101 0.76 SNCA (0.37) MEN1KMT2AGFERSNCAL3MBTL1
SCHEMBL8679998 0.75 SNCA (0.44) MEN1KMT2AALDH1A1TDP1SNCA
SCHEMBL8680281 0.75 MAPT (0.41) MEN1KMT2AALDH1A1CYP3A4TSHR

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