SCHEMBL8685200

SCHEMBL8685200

CC1=Cc2cccc([N+](=O)[O-])c2OC12Oc1ccc(C)cc1N2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
POLB P06746 3/20 0.39
CASP6 P55212 1/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
ACHE P22303 1/20 0.32
AGTR1 P30556 1/20 0.32
MAOB P27338 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL8680368 0.88 MAPT (0.47) MAPTCASP6TSHRTDP1ALDH1A1
SCHEMBL8683886 0.80 MEN1 (0.37) MAPTCASP6TSHRCYP3A4TDP1
SCHEMBL8680320 0.78 MAPK1 (0.39) MAPTPOLBALDH1A1MAPK1SMN1; SMN2
SCHEMBL8680341 0.77 HTT (0.33) MAPTPOLBTDP1ALDH1A1MAPK1
SCHEMBL2535787 0.70 MEN1 (0.41) MAPTPOLBTSHRTDP1ALDH1A1
SCHEMBL8684959 0.69 L3MBTL1 (0.39) MAPTPOLBTDP1ALDH1A1MAPK1
SCHEMBL8862551 0.68 L3MBTL1 (0.38) MAPTTSHRTDP1ALDH1A1MAPK1
SCHEMBL8682305 0.68 ABCB1 (0.33) MAPTTDP1MAPK1SMN1; SMN2CHRNB4
SCHEMBL8680316 0.67 SMN1; SMN2 (0.38) MAPTPOLBCYP3A4TDP1ALDH1A1
SCHEMBL8680198 0.61 L3MBTL1 (0.42) MAPTTSHRCYP3A4TDP1ALDH1A1

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