SCHEMBL3271045

SCHEMBL3271045

O=[N+]([O-])C(c1ccccc1)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.54
SLC6A2 P23975 2/20 0.54
SLC6A4 P31645 2/20 0.54
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CNR1 P21554 3/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
NOTUM Q6P988 1/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
GSR P00390 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL10567133 0.87 LMNA (0.46) KDM4EALDH1A1MAPTKMT2AGSR
Bicarbonate SCHEMBL27706335 0.81 CES2 (0.46) ALDH1A1GSRLMNA
SCHEMBL10653829 0.76 ACHE (0.43) KDM4EHSD17B10CNR1ALDH1A1MAPT
SCHEMBL11440190 0.76 GSR (0.37) KDM4EALDH1A1MAPTKMT2AGSR
SCHEMBL5053923 0.76 IDO1 (0.44) HSD17B10CNR1ALDH1A1MAPTGAA
SCHEMBL460268 0.76 SLC6A2 (0.53) SLC6A3SLC6A2SLC6A4KDM4ECNR1
SCHEMBL15216574 0.74 SLC6A2 (0.62) SLC6A3SLC6A2SLC6A4CNR1ALDH1A1
SCHEMBL17911851 0.72 ADRA2A (0.41) SLC6A3SLC6A2SLC6A4CNR1KMT2A
SCHEMBL7944964 0.72 CNR1 (0.37) SLC6A3KDM4ECNR1ALDH1A1MAPT
SCHEMBL15055313 0.72 CNR1 (0.40) SLC6A3KDM4ECNR1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9322001-B2 Cytochrome P450 oxygenases CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-04-26 US disclosed
US-20140322792-A1 CYTOCHROME P450 OXYGENASES THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-30 US disclosed
US-8722371-B2 Cytochrome P450 oxygenases CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-05-13 US disclosed
US-20130288324-A1 CYTOCHROME P450 OXYGENASES THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-10-31 US disclosed
US-8367386-B2 Cytochrome P450 oxygenases CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-02-05 US disclosed
US-20120184015-A1 CYTOCHROME P450 OXYGENASES THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-07-19 US disclosed
US-8076114-B2 Cytochrome P450 oxygenases CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-12-13 US disclosed
US-20100248327-A1 CYTOCHROME P450 OXYGENASES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-09-30 US disclosed
US-7691616-B2 Enzymatic polypeptide for use in the oxidation of alkanes and alkenes of eight or less carbons and are resistant to organic solvents CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-04-06 US disclosed
US-20080293928-A1 Cytochrom P450 oxygenases CALIFORNIA INSTITUTE OF TECHNOLOGY 2008-11-27 US disclosed
US-7226768-B2 Enzymetic polypeptide for use in the oxidation of alkanes and alkenes of eight or less carbons THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-06-05 US disclosed
WO-2003008563-A9 IMPROVED CYTOCHROME P450 OXYGENASES CALIFORNIA INST OF TECHN (US) 2003-08-14 WO disclosed
US-20030100744-A1 Enzymetic polypeptide for use in the oxidation of alkanes and alkenes of eight or less carbons CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-05-29 US disclosed
WO-2003008563-A2 IMPROVED CYTOCHROME P450 OXYGENASES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-01-30 WO disclosed
EP-1279956-A2 Determination of Epoxides and Aldehydes in gases BAYER AG (DE) 2003-01-29 EP disclosed