SCHEMBL3794045

SCHEMBL3794045

CCCCCCCCc1cc[c]c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
KAT8 Q9H7Z6 2/20 0.39
PPARA Q07869 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
PTGS2 P35354 3/20 0.38
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SHBG P04278 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL10497050 1.00 KCNH2 (0.45) KCNH2KAT8PPARAGPR84LPL
SCHEMBL9653209 0.87 ALOX5 (0.38) KCNH2KDM4EALDH1A1
SCHEMBL7934032 0.81 GPR84 (0.46) KCNH2GPR84PTGS2ESR1ADRA2A
SCHEMBL457530 0.80 KAT2B (0.36) PTGS2ALDH1A1LMNA
SCHEMBL27357221 0.78 TDP1 (0.32)
SCHEMBL10746021 0.78 TAAR1 (0.35) ADRA2ASLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL9321110 0.77 TXNRD1 (0.44) KCNH2ALDH1A1CYP3A4
SCHEMBL8179540 0.77 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL9320496 0.75 CYSLTR2 (0.38) GPR84ESR1LMNA
SCHEMBL15067037 0.75 PTGS2 (0.46) KAT8PPARALPLLIPGPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010027514-A2 COATED SENSORS AND METHODS RELATED THERETO THE CHARLES STARK DRAPER LABORATORY, INC. (US) 2010-03-11 WO disclosed
WO-2009051703-A1 ION-SELECTIVE SENSORS THE CHARLES STARK DRAPER LABORATORY, INC. (US) 2009-04-23 WO disclosed
EP-2049900-A2 QUANTUM DOT BASED FLUORESCENT ION-SENSOR The Charles Stark Draper Laboratory, Inc. (US) 2009-04-22 EP disclosed
WO-2008016646-A2 QUANTUM DOT BASED FLUORESCENT ION-SENSOR THE CHARLES STARK DRAPER LABORATORY, INC. (US) 2008-02-07 WO disclosed
EP-0619019-A4 ANALYTE AND PH MEASURING SENSOR ASSEMBLY AND METHOD. PPG INDUSTRIES INC (US) 1996-09-11 EP disclosed
EP-0619019-A1 ANALYTE AND pH MEASURING SENSOR ASSEMBLY AND METHOD PPG INDUSTRIES, INC. (US) 1994-10-12 EP disclosed
US-5336388-A Computerized electrochemical sensor; miniaturization, accuracy; medical analyzing PPG INDUSTRIES, INC. (US) 1994-08-09 US disclosed
WO-1993013411-A1 ANALYTE AND pH MEASURING SENSOR ASSEMBLY AND METHOD PPG INDUSTRIES, INC. (US) 1993-07-08 WO disclosed
US-4454007-A CARBON DISPERSED IN A DIELECTRIC POLYMER, PARTIALLYL INTERDIFFUSED WITH MEMBRANE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-06-12 US disclosed