SCHEMBL8680987

SCHEMBL8680987

O=[N+]([O-])c1ccc2c(c1)C=CC1(Oc3ccc(Br)cc3C=C1c1ccccc1)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
HIF1A Q16665 4/20 0.38
EPAS1 Q99814 4/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 1/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
GFER P55789 1/20 0.37
P2RY6 Q15077 1/20 0.36
SNCA P37840 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 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
SCHEMBL8684835 0.89 MEN1 (0.43) HIF1AEPAS1MEN1KMT2AMAPT
SCHEMBL8680292 0.87 HIF1A (0.38) HIF1AEPAS1MEN1KMT2AMAPT
SCHEMBL8680370 0.86 NPSR1 (0.32) NPSR1HIF1AEPAS1MEN1KMT2A
SCHEMBL8680335 0.83 NPSR1 (0.42) NPSR1HIF1AEPAS1CA9CA12
SCHEMBL8685159 0.79 HIF1A (0.36) HIF1AEPAS1MEN1KMT2AMAPT
SCHEMBL8680591 0.79 MAPT (0.35) HIF1AEPAS1MEN1KMT2AMAPT
SCHEMBL8680220 0.78 MAPT (0.43) MEN1KMT2AMAPTHTTCA9
SCHEMBL8685169 0.76 CYP19A1 (0.34) HIF1AEPAS1MEN1KMT2AMAPT
SCHEMBL8682404 0.75 MEN1 (0.33) HIF1AEPAS1MEN1KMT2AGFER
SCHEMBL8681977 0.75 KMT2A (0.33) HIF1AEPAS1MEN1KMT2AGFER

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