SCHEMBL8680199

SCHEMBL8680199

COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)Oc2ccccc2C=C1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 7/20 0.33
KMT2A Q03164 7/20 0.33
TLR3 O15455 1/20 0.32
HTT P42858 2/20 0.32
MAPT P10636 7/20 0.32
TDP1 Q9NUW8 3/20 0.32
PSMD14 O00487 1/20 0.32
MMP2 P08253 1/20 0.32
ATM Q13315 1/20 0.32
POLB P06746 4/20 0.32
CASP6 P55212 1/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HIF1A Q16665 2/20 0.32
EPAS1 Q99814 2/20 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
SCHEMBL8680114 0.91 MEN1 (0.35) KDM4EMAPK1RAB9AMEN1KMT2A
SCHEMBL8680591 0.87 MAPT (0.35) KDM4EPKMMAPK1RAB9AMEN1
SCHEMBL8685159 0.87 HIF1A (0.36) KDM4EMAPK1RAB9AMEN1KMT2A
SCHEMBL8681977 0.85 KMT2A (0.33) MAPK1RAB9AMEN1KMT2APOLB
SCHEMBL8682404 0.85 MEN1 (0.33) MEN1KMT2APOLBCASP6HIF1A
SCHEMBL8680802 0.85 MEN1 (0.33) MEN1KMT2ATDP1POLBCASP6
SCHEMBL8684835 0.82 MEN1 (0.43) RAB9AMEN1KMT2ATLR3HTT
SCHEMBL8682616 0.77 ALDH1A1 (0.44) RAB9AMEN1KMT2AMAPTTDP1
SCHEMBL8682553 0.76 MEN1 (0.36) KDM4EMAPK1MEN1KMT2AHTT
SCHEMBL8680345 0.74 ALDH1A1 (0.36) RAB9AMEN1KMT2AMAPTTDP1

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