SCHEMBL8680591

SCHEMBL8680591

COc1cccc2c1OC1(C=C2)Oc2ccc([N+](=O)[O-])cc2C=C1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 3/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
PTPN11 Q06124 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 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
SCHEMBL8685159 0.96 HIF1A (0.36) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8680114 0.88 MEN1 (0.35) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8680199 0.87 KDM4E (0.36) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8681771 0.87 MAPT (0.36) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8682553 0.85 MEN1 (0.36) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8682616 0.84 ALDH1A1 (0.44) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8684835 0.83 MEN1 (0.43) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8680987 0.79 NPSR1 (0.41) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8680292 0.79 HIF1A (0.38) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8680345 0.76 ALDH1A1 (0.36) MAPTMEN1KMT2AALDH1A1L3MBTL1

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