SCHEMBL8680345

SCHEMBL8680345

COc1cccc2c1OC1(C=Cc3c(Br)c([N+](=O)[O-])cc(OC)c3O1)C(c1ccccc1)=C2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ABCB1 P08183 4/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
S1PR1 P21453 1/20 0.32
ABCC1 P33527 2/20 0.31
CHEK1 O14757 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 2/20 0.31

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
SCHEMBL8682616 0.84 ALDH1A1 (0.44) ALDH1A1TDP1ABCB1CYP3A4TSHR
SCHEMBL8680114 0.82 MEN1 (0.35) ALDH1A1TDP1RAB9AMAPTL3MBTL1
SCHEMBL8685159 0.78 HIF1A (0.36) ALDH1A1CYP3A4NPC1RAB9AMAPT
SCHEMBL8682553 0.77 MEN1 (0.36) ALDH1A1CYP3A4NPC1MAPTL3MBTL1
SCHEMBL8680591 0.76 MAPT (0.35) ALDH1A1CYP3A4NPC1RAB9AMAPT
SCHEMBL8680199 0.74 KDM4E (0.36) ALDH1A1TDP1ABCB1RAB9AMAPT
SCHEMBL8681973 0.71 AKR1C3 (0.32) ALDH1A1TDP1RXFP1NPC1RAB9A
SCHEMBL8680127 0.70 MAPT (0.32) MAPTMEN1KMT2APOLB
SCHEMBL8684891 0.70 AKR1C3 (0.32) RAB9A
SCHEMBL8680361 0.70 TDP1 (0.33) ALDH1A1TDP1MAPTL3MBTL1MEN1

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