SCHEMBL8680648

SCHEMBL8680648

COc1cc2c(c(OC)c1[N+](=O)[O-])C=CC1(O2)N(C)c2c(ccc(Cl)c2C)C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GFER P55789 1/20 0.34
HIF1A Q16665 1/20 0.32
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31
ALPG P10696 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30

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
SCHEMBL8680414 0.88 MEN1 (0.35) MEN1KMT2AGFERHIF1AGAA
SCHEMBL8680633 0.86 HIF1A (0.33) MEN1KMT2AGFERHIF1AMAPT
SCHEMBL8862464 0.84 MEN1 (0.39) MEN1KMT2AGFERGAAMAPT
SCHEMBL8681106 0.82 MAPT (0.48) MEN1KMT2AGFERHIF1AGAA
SCHEMBL8682467 0.82 MEN1 (0.44) MEN1KMT2AGFERGAAMAPT
SCHEMBL8680206 0.81 ALDH1A1 (0.35) MEN1KMT2AGFERGAAMAPT
SCHEMBL8680135 0.79 LMNA (0.32) MEN1KMT2AGFERLMNA
SCHEMBL8680204 0.78 MEN1 (0.44) MEN1KMT2AGFERHIF1AGAA
SCHEMBL8682390 0.78 MEN1 (0.44) MEN1KMT2AGFERGAAMAPT
SCHEMBL8681727 0.78 MAPT (0.36) MEN1KMT2AGFERGAAMAPT

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 5 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-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