SCHEMBL8681966

SCHEMBL8681966

CC1=Cc2cccc([N+](=O)[O-])c2OC12N(C)c1ccccc1C2(C)C

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CASP6 P55212 1/20 0.33
GAA P10253 3/20 0.33
KMT2A Q03164 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 2/20 0.33
ALOX15 P16050 2/20 0.33
ALPG P10696 1/20 0.33
RECQL P46063 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 3/20 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
SCHEMBL8685160 0.87 SMN1; SMN2 (0.65) MAPTSMN1; SMN2MAPK1KDM4EATM
SCHEMBL8680256 0.85 MAPK1 (0.53) MAPTSMN1; SMN2MAPK1KDM4EATM
SCHEMBL8685259 0.83 SMN1; SMN2 (0.52) MAPTSMN1; SMN2MAPK1KDM4ETDP1
SCHEMBL8684766 0.79 SMN1; SMN2 (0.52) MAPTSMN1; SMN2MAPK1KDM4EATM
SCHEMBL8680559 0.79 MAPT (0.41) MAPTSMN1; SMN2MAPK1KDM4EATM
SCHEMBL8680166 0.78 SMN1; SMN2 (0.42) MAPTSMN1; SMN2MAPK1KDM4EATM
SCHEMBL8680552 0.78 SMN1; SMN2 (0.50) MAPTSMN1; SMN2MAPK1KDM4EATM
SCHEMBL8684907 0.78 MAPT (0.43) MAPTSMN1; SMN2MAPK1KDM4EATM
SCHEMBL608699 0.77 MAPT (0.53) MAPTSMN1; SMN2MAPK1KDM4EATM
SCHEMBL8680280 0.77 SMN1; SMN2 (0.45) MAPTSMN1; SMN2MAPK1KDM4EATM

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