SCHEMBL8680492

SCHEMBL8680492

Cc1ccc2c(c1)N(C)C1(C=Cc3cccc([N+](=O)[O-])c3O1)C2(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GFER P55789 1/20 0.43
MAPT P10636 4/20 0.42
GAA P10253 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RECQL P46063 2/20 0.42
ALPG P10696 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 4/20 0.34
POLB P06746 3/20 0.34
CYP3A4 P08684 1/20 0.33
ACHE P22303 2/20 0.33
ALDH1A1 P00352 3/20 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
SCHEMBL608699 0.88 MAPT (0.53) MEN1KMT2AGFERMAPTGAA
SCHEMBL8680241 0.84 MEN1 (0.40) MEN1KMT2AGFERMAPTGAA
SCHEMBL8682032 0.83 MEN1 (0.48) MEN1KMT2AGFERMAPTGAA
SCHEMBL8685119 0.82 MAPT (0.41) MEN1KMT2AGFERMAPTGAA
SCHEMBL8680103 0.82 MEN1 (0.46) MEN1KMT2AGFERMAPTGAA
SCHEMBL8680454 0.82 MEN1 (0.48) MEN1KMT2AGFERMAPTGAA
SCHEMBL8680655 0.79 MAPT (0.52) MEN1KMT2AGFERMAPTGAA
SCHEMBL26781522 0.79 MEN1 (0.54) MEN1KMT2AGFERMAPTGAA
SCHEMBL8684860 0.78 MEN1 (0.43) MEN1KMT2AGFERMAPTGAA
SCHEMBL8680569 0.78 MEN1 (0.64) 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