SCHEMBL8680561

SCHEMBL8680561

COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(C)c2cccc(C)c2C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
GFER P55789 1/20 0.38
MAPT P10636 9/20 0.35
LMNA P02545 5/20 0.35
NPSR1 Q6W5P4 3/20 0.35
GAA P10253 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
RECQL P46063 2/20 0.35
ALPG P10696 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.33
MAPK1 P28482 3/20 0.33
TLR3 O15455 1/20 0.33
HTT P42858 4/20 0.33
ALDH1A1 P00352 5/20 0.33

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
SCHEMBL8680553 0.89 KMT2A (0.38) MEN1KMT2AGFERMAPTLMNA
SCHEMBL13326515 0.86 MAPT (0.50) MEN1KMT2AGFERMAPTLMNA
SCHEMBL29473569 0.86 MAPT (0.50) MEN1KMT2AGFERMAPTLMNA
SCHEMBL976219 0.86 MAPT (0.50) MEN1KMT2AGFERMAPTLMNA
SCHEMBL30612732 0.86 MAPT (0.50) MEN1KMT2AGFERMAPTLMNA
SCHEMBL8680194 0.85 MEN1 (0.38) MEN1KMT2AGFERMAPTLMNA
SCHEMBL8680098 0.83 MEN1 (0.37) MEN1KMT2AGFERMAPTLMNA
SCHEMBL8684860 0.83 MEN1 (0.43) MEN1KMT2AGFERMAPTLMNA
SCHEMBL8680139 0.83 HTT (0.37) MEN1KMT2AGFERMAPTLMNA
SCHEMBL8680217 0.82 MEN1 (0.48) MEN1KMT2AGFERMAPTLMNA

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