SCHEMBL8679976

SCHEMBL8679976

CN1C(C)(C)c2ccccc2C12C=Cc1cc([N+](=O)[O-])ccc1O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
GFER P55789 1/20 0.45
MAPT P10636 6/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
ALPG P10696 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HIF1A Q16665 5/20 0.40
EPAS1 Q99814 5/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
TLR3 O15455 1/20 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
SCHEMBL29492998 0.76 MAPT (0.70) MEN1KMT2AGFERMAPTGAA
SCHEMBL12922324 0.76 MAPT (0.70) MEN1KMT2AGFERMAPTGAA
SCHEMBL79311 0.76 MAPT (0.70) MEN1KMT2AGFERMAPTGAA
SCHEMBL29466131 0.76 MAPT (0.70) MEN1KMT2AGFERMAPTGAA
Hydrochloric Acid SCHEMBL11789208 0.75 MAPT (0.69) MEN1KMT2AGFERMAPTGAA
SCHEMBL8680760 0.74 MEN1 (0.50) MEN1KMT2AGFERMAPTGAA
SCHEMBL3193294 0.74 TLR3 (0.59) MEN1KMT2AGFERMAPTTDP1
SCHEMBL8688282 0.74 MEN1 (0.47) MEN1KMT2AGFERMAPTGAA
SCHEMBL610013 0.74 MEN1 (0.43) MEN1KMT2AGFERMAPTGAA
SCHEMBL29466096 0.74 MEN1 (0.43) MEN1KMT2AGFERMAPTGAA

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