SCHEMBL8680122

SCHEMBL8680122

O=[N+]([O-])c1cccc2ccc3c(c12)C=CC1(C=Cc2c(ccc4cccc([N+](=O)[O-])c24)O1)O3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
PDE10A Q9Y233 1/20 0.39
TYMS P04818 1/20 0.39
MEN1 O00255 8/20 0.36
KMT2A Q03164 8/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
GAA P10253 2/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 4/20 0.36
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
GPR35 Q9HC97 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 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
SCHEMBL8680391 0.80 TDP1 (0.51) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL8680450 0.79 ALDH1A1 (0.38) ALDH1A1PDE10ATYMSMEN1KMT2A
SCHEMBL8681104 0.78 TSHR (0.38) ALDH1A1PDE10AMEN1KMT2AKDM4E
SCHEMBL8685251 0.75 MAPT (0.50) ALDH1A1TYMSMEN1KMT2AKDM4E
SCHEMBL8685167 0.73 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL2927803 0.72 ALDH1A1 (0.46) ALDH1A1PDE10ATYMSMEN1KMT2A
SCHEMBL187697 0.72 ALDH1A1 (0.61) ALDH1A1PDE10ATYMSMEN1KMT2A
SCHEMBL29626558 0.72 ALDH1A1 (0.61) ALDH1A1PDE10ATYMSMEN1KMT2A
SCHEMBL8682364 0.71 CA9 (0.38) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL8680039 0.70 LMNA (0.38) ALDH1A1MEN1KMT2AMAPTTDP1

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