SCHEMBL8680868

SCHEMBL8680868

COc1cc([N+](=O)[O-])c([N+](=O)[O-])c2c1OC1(C=C2)N(C)c2cc([N+](=O)[O-])c(Cl)cc2C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL8680257 0.88 MEN1 (0.40) MEN1GFERKMT2ALMNAHTT
SCHEMBL8680022 0.86 MAPT (0.36) MEN1GFERKMT2ALMNAHTT
SCHEMBL8682626 0.86 MEN1 (0.49) MEN1GFERKMT2ALMNAHTT
SCHEMBL8680155 0.85 MEN1 (0.41) MEN1GFERKMT2ALMNAHTT
SCHEMBL8680566 0.85 MEN1 (0.41) MEN1GFERKMT2ALMNAHTT
SCHEMBL8680227 0.85 MAPT (0.43) MEN1GFERKMT2ALMNAHTT
SCHEMBL8682145 0.84 MEN1 (0.41) MEN1GFERKMT2ALMNAHTT
SCHEMBL8680021 0.84 LMNA (0.37) MEN1GFERKMT2ALMNAHTT
SCHEMBL8679980 0.81 LMNA (0.34) LMNAHTT
SCHEMBL8680712 0.80 TDP1 (0.33) MEN1GFERKMT2ALMNAHTT

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