SCHEMBL8680106

SCHEMBL8680106

O=[N+]([O-])c1cccc2c1OC1(C=C2)c2ccccc2Oc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
CASP6 P55212 1/20 0.32
GPR35 Q9HC97 1/20 0.32
HSD17B10 Q99714 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
HTT P42858 1/20 0.30
CHRNB4 P30926 2/20 0.30
CHRNA3 P32297 2/20 0.30
DNMT3B Q9UBC3 2/20 0.30
PTPRC P08575 1/20 0.30
S100A4 P26447 1/20 0.30

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
SCHEMBL8680760 0.75 MEN1 (0.50) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL30697691 0.74 HTR2C (0.44) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL382367 0.74 HTR2C (0.44) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL27740620 0.74 TDP1 (0.42) MAPTTDP1ALDH1A1GPR35HSD17B10
SCHEMBL15009561 0.72 AHR (0.47) TDP1ALDH1A1MEN1KMT2AGPR35
SCHEMBL8685242 0.69 MEN1 (0.45) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL29592742 0.68 MEN1 (0.33) MAPTTDP1ALDH1A1MEN1KMT2A
Ethane SCHEMBL28101016 0.67 TDP1 (0.52) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL8680112 0.67 MAPT (0.46) MAPTTDP1MEN1KMT2AHSD17B10
SCHEMBL17065866 0.67 ALDH1A1 (0.45) MAPTTDP1ALDH1A1MEN1KMT2A

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