SCHEMBL8680553

SCHEMBL8680553

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
GFER P55789 1/20 0.38
MAPT P10636 9/20 0.35
GAA P10253 5/20 0.35
LMNA P02545 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RECQL P46063 2/20 0.35
TDP1 Q9NUW8 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
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
TLR3 O15455 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
MAPK1 P28482 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
SCHEMBL8680561 0.89 MEN1 (0.38) KMT2AMEN1GFERMAPTGAA
SCHEMBL29473569 0.85 MAPT (0.50) KMT2AMEN1GFERMAPTGAA
SCHEMBL976219 0.85 MAPT (0.50) KMT2AMEN1GFERMAPTGAA
SCHEMBL13326515 0.85 MAPT (0.50) KMT2AMEN1GFERMAPTGAA
SCHEMBL30612732 0.85 MAPT (0.50) KMT2AMEN1GFERMAPTGAA
SCHEMBL8680196 0.83 KMT2A (0.48) KMT2AMEN1GFERMAPTGAA
SCHEMBL8680098 0.82 MEN1 (0.37) KMT2AMEN1GFERMAPTGAA
SCHEMBL8680139 0.82 HTT (0.37) KMT2AMEN1GFERMAPTLMNA
SCHEMBL8685150 0.81 GAA (0.36) KMT2AMEN1GFERMAPTGAA
SCHEMBL8778142 0.81 MAPT (0.42) KMT2AMEN1GFERMAPTGAA

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