SCHEMBL8682111

SCHEMBL8682111

COc1cc([N+](=O)[O-])c2c(c1Br)C=CC1(O2)N(C)c2ccccc2C1(C)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 8/20 0.33
GAA P10253 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 3/20 0.33
THRB P10828 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
RECQL P46063 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALOX12 P18054 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALPG P10696 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL8685178 0.93 SMN1; SMN2 (0.33) SMN1; SMN2MAPK1MAPTGAAALDH1A1
SCHEMBL8680621 0.89 MAPT (0.42) SMN1; SMN2MAPK1MAPTGAAALDH1A1
SCHEMBL8681128 0.87 MAPT (0.33) SMN1; SMN2MAPK1MAPTGAAALDH1A1
SCHEMBL8679966 0.86 LMNA (0.34) SMN1; SMN2MAPK1MAPTGAAALDH1A1
SCHEMBL8680219 0.86 SMN1; SMN2 (0.34) SMN1; SMN2MAPK1MAPTGAAALDH1A1
SCHEMBL8680696 0.83 MAPT (0.34) SMN1; SMN2MAPK1MAPTGAAALDH1A1
SCHEMBL8680353 0.83 MAPK1 (0.33) SMN1; SMN2MAPK1MAPTGAAALDH1A1
SCHEMBL8680332 0.83 MEN1 (0.30) KMT2AMEN1
SCHEMBL8680162 0.83 MEN1 (0.40) MAPTGAATDP1LMNAKDM4E
SCHEMBL30612737 0.82 MAPT (0.42) SMN1; SMN2MAPK1MAPTGAAALDH1A1

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