SCHEMBL8680750

SCHEMBL8680750

CN1c2c(Cl)ccc(Cl)c2C(C)(C)C12C=Cc1cc([N+](=O)[O-])ccc1O2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
GFER P55789 1/20 0.52
GAA P10253 3/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
LMNA P02545 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ALPG P10696 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
CA9 Q16790 2/20 0.38
TLR3 O15455 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
HIF1A Q16665 4/20 0.36
EPAS1 Q99814 4/20 0.36
HTT P42858 1/20 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
SCHEMBL8681142 0.87 MEN1 (0.56) MEN1KMT2AGFERGAAMAPT
SCHEMBL8680651 0.83 MEN1 (0.56) MEN1KMT2AGFERGAAMAPT
SCHEMBL8681120 0.83 MEN1 (0.56) MEN1KMT2AGFERGAAMAPT
SCHEMBL8684901 0.83 MEN1 (0.52) MEN1KMT2AGFERGAAMAPT
SCHEMBL8680578 0.81 MEN1 (0.51) MEN1KMT2AGFERGAAMAPT
SCHEMBL8680644 0.81 MEN1 (0.35) MEN1KMT2AGFERMAPTLMNA
SCHEMBL8684903 0.80 MEN1 (0.56) MEN1KMT2AGFERGAAMAPT
SCHEMBL8680328 0.78 MEN1 (0.63) MEN1KMT2AGFERGAAMAPT
SCHEMBL8680565 0.78 MEN1 (0.62) MEN1KMT2AGFERGAAMAPT
SCHEMBL8680684 0.78 MEN1 (0.50) 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 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