SCHEMBL8680368

SCHEMBL8680368

CC1=Cc2cccc([N+](=O)[O-])c2OC12Oc1ccccc1N2C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
CASP6 P55212 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 3/20 0.34
TSHR P16473 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL8685200 0.88 MAPT (0.41) MAPTCASP6SMN1; SMN2MAPK1TDP1
SCHEMBL8680320 0.85 MAPK1 (0.39) MAPTSMN1; SMN2MAPK1LMNAKMT2A
SCHEMBL2535787 0.78 MEN1 (0.41) MAPTSMN1; SMN2MAPK1TDP1CHRNB4
SCHEMBL8680316 0.76 SMN1; SMN2 (0.38) MAPTSMN1; SMN2MAPK1TDP1LMNA
SCHEMBL8681966 0.76 MAPT (0.64) MAPTCASP6SMN1; SMN2MAPK1TDP1
SCHEMBL8679975 0.75 MAPT (0.46) MAPTCASP6SMN1; SMN2MAPK1TDP1
SCHEMBL8684959 0.67 L3MBTL1 (0.39) MAPTSMN1; SMN2MAPK1TDP1LMNA
SCHEMBL608699 0.67 MAPT (0.53) MAPTCASP6SMN1; SMN2MAPK1TDP1
SCHEMBL8862551 0.66 L3MBTL1 (0.38) MAPTSMN1; SMN2MAPK1TDP1CHRNB4
SCHEMBL8683886 0.66 MEN1 (0.37) MAPTCASP6SMN1; SMN2TDP1CHRNB4

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