SCHEMBL8685160

SCHEMBL8685160

CC1=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2OC12N(C)c1ccccc1C2(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
MAPK1 P28482 3/20 0.65
MAPT P10636 5/20 0.49
TDP1 Q9NUW8 6/20 0.36
LMNA P02545 4/20 0.36
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MITF O75030 2/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALPG P10696 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL8680256 0.89 MAPK1 (0.53) SMN1; SMN2MAPK1MAPTTDP1LMNA
SCHEMBL8684766 0.88 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1MAPTTDP1LMNA
SCHEMBL8685259 0.88 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1MAPTTDP1LMNA
SCHEMBL8681966 0.87 MAPT (0.64) SMN1; SMN2MAPK1MAPTTDP1LMNA
SCHEMBL8680552 0.86 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1MAPTTDP1LMNA
SCHEMBL8680025 0.83 SMN1; SMN2 (0.47) SMN1; SMN2MAPK1MAPTTDP1LMNA
SCHEMBL8680280 0.82 SMN1; SMN2 (0.45) SMN1; SMN2MAPK1MAPTTDP1LMNA
SCHEMBL8680166 0.79 SMN1; SMN2 (0.42) SMN1; SMN2MAPK1MAPTTDP1LMNA
SCHEMBL5573271 0.78 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1MAPTTDP1LMNA
SCHEMBL8680356 0.77 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1MAPTTDP1LMNA

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