SCHEMBL8680454

SCHEMBL8680454

CN1c2ccc(-c3ccccc3)cc2C(C)(C)C12C=Cc1cccc([N+](=O)[O-])c1O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GFER P55789 1/20 0.48
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALPG P10696 1/20 0.41
RECQL P46063 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
PGR P06401 4/20 0.34
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MAOA P21397 1/20 0.32
PPARD Q03181 1/20 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
SCHEMBL8680105 0.89 MEN1 (0.50) MEN1KMT2AGFERMAPTNPSR1
SCHEMBL608699 0.87 MAPT (0.53) MEN1KMT2AGFERMAPTNPSR1
SCHEMBL8680329 0.86 MEN1 (0.45) MEN1KMT2AGFERMAPTNPSR1
SCHEMBL8682032 0.86 MEN1 (0.48) MEN1KMT2AGFERMAPTNPSR1
SCHEMBL8680103 0.84 MEN1 (0.46) MEN1KMT2AGFERMAPTNPSR1
SCHEMBL8685206 0.82 MAPT (0.43) MEN1KMT2AGFERMAPTNPSR1
SCHEMBL8680492 0.82 MEN1 (0.43) MEN1KMT2AGFERMAPTNPSR1
SCHEMBL8680573 0.81 MAPT (0.40) MEN1KMT2AGFERMAPTNPSR1
SCHEMBL8680570 0.81 MEN1 (0.48) MEN1KMT2AGFERMAPTNPSR1
SCHEMBL8685186 0.81 MEN1 (0.41) MEN1KMT2AGFERMAPTNPSR1

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