SCHEMBL8680397

SCHEMBL8680397

COc1cc([N+](=O)[O-])c([N+](=O)[O-])c2c1OC1(C(C)=C2)N(C)c2ccccc2C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 6/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 3/20 0.33
GAA P10253 2/20 0.32
HTT P42858 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PTK2 Q05397 1/20 0.32
KDM4E B2RXH2 3/20 0.31
THRB P10828 2/20 0.31
HPGD P15428 2/20 0.31
ALOX12 P18054 1/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 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
SCHEMBL8685173 0.90 MAPK1 (0.41) MAPK1SMN1; SMN2MAPTALDH1A1TDP1
SCHEMBL8684907 0.87 MAPT (0.43) MAPK1SMN1; SMN2MAPTALDH1A1TDP1
SCHEMBL8680552 0.81 SMN1; SMN2 (0.50) MAPK1SMN1; SMN2MAPTALDH1A1TDP1
SCHEMBL8680227 0.81 MAPT (0.43) MAPK1SMN1; SMN2MAPTALDH1A1TDP1
SCHEMBL8685259 0.78 SMN1; SMN2 (0.52) MAPK1SMN1; SMN2MAPTALDH1A1TDP1
SCHEMBL8680356 0.78 SMN1; SMN2 (0.41) MAPK1SMN1; SMN2MAPTALDH1A1TDP1
SCHEMBL8685160 0.76 SMN1; SMN2 (0.65) MAPK1SMN1; SMN2MAPTALDH1A1TDP1
SCHEMBL8681966 0.75 MAPT (0.64) MAPK1SMN1; SMN2MAPTALDH1A1TDP1
SCHEMBL8681128 0.74 MAPT (0.33) MAPK1SMN1; SMN2MAPTALDH1A1TDP1
SCHEMBL8680256 0.74 MAPK1 (0.53) MAPK1SMN1; SMN2MAPTTDP1MEN1

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