SCHEMBL8680426

SCHEMBL8680426

COc1c2c(c([N+](=O)[O-])c(OC)c1[N+](=O)[O-])OC1(C=C2)N(C)c2ccccc2C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
LMNA P02545 5/20 0.43
GAA P10253 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
RECQL P46063 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALPG P10696 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.36
THRB P10828 5/20 0.36
KDM4E B2RXH2 4/20 0.36
PKM P14618 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36

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
SCHEMBL8681106 0.84 MAPT (0.48) MAPTLMNAGAAMEN1KMT2A
SCHEMBL8682365 0.83 MAPT (0.48) MAPTLMNAGAAMEN1KMT2A
SCHEMBL8680227 0.81 MAPT (0.43) MAPTLMNAGAAMEN1KMT2A
SCHEMBL8680972 0.81 MAPT (0.46) MAPTLMNAGAAMEN1KMT2A
SCHEMBL8682021 0.81 MAPT (0.42) MAPTLMNAGAAMEN1KMT2A
SCHEMBL8680015 0.81 MEN1 (0.41) MAPTLMNAGAAMEN1KMT2A
SCHEMBL8685189 0.80 MAPT (0.43) MAPTLMNAGAAMEN1KMT2A
SCHEMBL8679863 0.80 MAPT (0.43) MAPTLMNAGAAMEN1KMT2A
SCHEMBL8679983 0.79 MAPT (0.44) MAPTLMNAGAAMEN1KMT2A
SCHEMBL8680035 0.78 MAPT (0.46) MAPTLMNAGAAMEN1KMT2A

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