SCHEMBL8680677

SCHEMBL8680677

CN1c2ccccc2C(C)(C)C12C=Cc1c(cccc1[N+](=O)[O-])O2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
GAA P10253 5/20 0.52
KMT2A Q03164 5/20 0.52
LMNA P02545 5/20 0.52
MEN1 O00255 4/20 0.52
TDP1 Q9NUW8 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
RECQL P46063 3/20 0.52
ALOX15 P16050 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ALPG P10696 1/20 0.52
TP53 P04637 1/20 0.52
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.41
KDM4E B2RXH2 6/20 0.41
THRB P10828 5/20 0.41
PKM P14618 2/20 0.41
ALOX12 P18054 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 4/20 0.37

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
SCHEMBL8680016 0.88 MAPT (0.50) MAPTGAAKMT2ALMNAMEN1
SCHEMBL8685251 0.88 MAPT (0.50) MAPTGAAKMT2ALMNAMEN1
SCHEMBL8680109 0.86 MAPT (0.52) MAPTGAAKMT2ALMNAMEN1
SCHEMBL608699 0.82 MAPT (0.53) MAPTGAAKMT2ALMNAMEN1
SCHEMBL8680437 0.81 MAPT (0.56) MAPTGAAKMT2ALMNAMEN1
SCHEMBL8679863 0.80 MAPT (0.43) MAPTGAAKMT2ALMNAMEN1
SCHEMBL6629679 0.80 MAPT (0.52) MAPTGAAKMT2ALMNAMEN1
SCHEMBL8682050 0.79 MAPT (0.47) MAPTGAAKMT2ALMNAMEN1
SCHEMBL8681962 0.79 MAPT (0.52) MAPTGAAKMT2ALMNAMEN1
SCHEMBL8684757 0.78 MAPT (0.51) MAPTGAAKMT2ALMNAMEN1

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