SCHEMBL8680220

SCHEMBL8680220

O=[N+]([O-])c1ccc2c(c1)C=C(c1ccccc1)C1(O2)Oc2ccc([N+](=O)[O-])cc2C=C1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.41
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
OPRK1 P41145 1/20 0.39
CYP19A1 P11511 1/20 0.39
POLB P06746 1/20 0.39
CHRM1 P11229 1/20 0.38
AKR1B1 P15121 1/20 0.38
NPBWR1 P48145 1/20 0.37

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
SCHEMBL8684835 0.79 MEN1 (0.43) MAPTKMT2AMEN1HTTHPGD
SCHEMBL8680292 0.78 HIF1A (0.38) MAPTKMT2AMEN1HTTHPGD
SCHEMBL8680987 0.78 NPSR1 (0.41) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL8680283 0.76 L3MBTL1 (0.37) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL1498117 0.75 MAPT (0.33) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL8684895 0.73 SNCA (0.34) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL8685169 0.72 CYP19A1 (0.34) MAPTKMT2AMEN1HTTHPGD
SCHEMBL11593747 0.71 MAPT (0.40) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL9151094 0.71 TSHR (0.43) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL9151089 0.67 CA9 (0.40) MAPTKMT2AMEN1HTTALDH1A1

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