SCHEMBL8680938

SCHEMBL8680938

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GFER P55789 1/20 0.38
SNCA P37840 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.34
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP4 P49662 1/20 0.34
CASP7 P55210 1/20 0.34
CASP9 P55211 1/20 0.34
CASP6 P55212 1/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
ALDH1A1 P00352 2/20 0.33
AKR1B1 P15121 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8680419 0.93 MEN1 (0.36) MEN1KMT2AGFERSNCAL3MBTL1
SCHEMBL8680439 0.93 SNCA (0.40) MEN1KMT2AGFERSNCAL3MBTL1
SCHEMBL8678921 0.91 SNCA (0.38) MEN1KMT2AGFERSNCAL3MBTL1
SCHEMBL8685181 0.91 SNCA (0.50) MEN1KMT2AGFERSNCAL3MBTL1
SCHEMBL8680463 0.91 MEN1 (0.35) MEN1KMT2AGFERSNCAL3MBTL1
SCHEMBL8680754 0.87 SMN1; SMN2 (0.40) MEN1KMT2AGFERMAPTALDH1A1
SCHEMBL8680928 0.83 SNCA (0.41) MEN1KMT2ASNCAL3MBTL1MAPT
SCHEMBL8680101 0.81 SNCA (0.37) MEN1KMT2AGFERSNCAL3MBTL1
SCHEMBL8679998 0.79 SNCA (0.44) MEN1KMT2ASNCAL3MBTL1MAPT
SCHEMBL8680281 0.79 MAPT (0.41) MEN1KMT2AMAPTALDH1A1RAB9A

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