SCHEMBL3319557

SCHEMBL3319557

Cc1cccc[n+]1C=Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 4/20 0.45
MAOB P27338 1/20 0.39
TTR P02766 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
NFE2L2 Q16236 2/20 0.35
RELA Q04206 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TRPA1 O75762 1/20 0.35
GLA P06280 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35
GRM5 P41594 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2556012 0.82 ALDH1A1 (0.41) PTGS2ALDH1A1KDM4EHPGDTDP1
SCHEMBL8625483 0.76 CHAT (0.41) CHATMAOBTTRALOX5PTGS1
SCHEMBL4666033 0.76 MAOB (0.43) CHATMAOBALOX5ALDH1A1KDM4E
SCHEMBL8607279 0.76 RELA (0.44) CHATMAOBALDH1A1NFE2L2RELA
SCHEMBL3317628 0.76 CHAT (0.41) CHATMAOBALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL11047633 0.75 NPC1 (0.35) NPC1RAB9ASMN1; SMN2
SCHEMBL16538878 0.74 CHAT (0.48) CHATMAOBALDH1A1NFE2L2NPC1
Hydrochloric Acid SCHEMBL9052844 0.74 RELA (0.43) CHATMAOBALDH1A1NFE2L2RELA
SCHEMBL999266 0.73 ALDH1A1 (0.41) CHATMAOBALOX5ALDH1A1NFE2L2
SCHEMBL4144762 0.73 HDAC8 (0.46) CHATMAOBALOX5ALDH1A1NFE2L2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150114296-A1 LOW PRESSURE VAPOR PHASE DEPOSITION OF ORGANIC THIN FILMS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-04-30 US disclosed
US-20100104753-A1 LOW PRESSURE VAPOR PHASE DEPOSITION OF ORGANIC THIN FILMS FORREST STEPHEN R 2010-04-29 US disclosed
US-20070131172-A1 Low pressure vapor phase deposition of organic thin films FORREST STEPHEN R 2007-06-14 US disclosed
EP-1474675-A2 AN ANALYSIS APPARATUS AND METHOD Teraview Limited (GB) 2004-11-10 EP disclosed
EP-1352287-A2 APPARATUS AND METHOD FOR INVESTIGATING A SAMPLE Teraview Limited (GB) 2003-10-15 EP disclosed
WO-2003069318-A2 AN ANALYSIS APPARATUS AND METHOD TERAVIEW LIMITED (GB) 2003-08-21 WO disclosed
US-6558736-B2 Vapor deposition in vacuum THE TRUSTEES OF PRINCETON UNIVERSITY 2003-05-06 US disclosed
EP-1269156-A1 AN IMAGING APPARATUS AND METHOD Teraview Limited (GB) 2003-01-02 EP disclosed
WO-2002057750-A2 APPARATUS AND METHOD FOR INVESTIGATING A SAMPLE TERAVIEW LIMITED (GB) 2002-07-25 WO disclosed
US-6337102-B1 PROVIDING A FIRST CARRIER GAS STREAM; VOLATILIZING A FIRST ORGANIC SMALL MOLECULE MATERIAL INTO THE FIRST CARRIER GAS STREAM; PASSING THE FIRST CARRIER GAS STREAM THROUGH AN APPARATUS; PASSING GAS STREAM OVER SUBSTRATE; DEPOSITING THE TRUSTEES OF PRINCETON UNIVERSITY 2002-01-08 US disclosed
WO-2001065239-A1 AN IMAGING APPARATUS AND METHOD TERAVIEW LIMITED (GB) 2001-09-07 WO disclosed