SCHEMBL2028644

SCHEMBL2028644

C=CCN(Oc1ccccc1)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
TSHR P16473 1/20 0.37
GPR35 Q9HC97 1/20 0.37
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 2/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 5/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL11076565 0.90 KDM4E (0.45) KDM4ETSHRKMT2AMEN1MAPT
SCHEMBL9772660 0.68 KDM4E (0.41) KDM4ETSHRKMT2AMEN1MAPT
SCHEMBL8812752 0.68 KDM4E (0.44) KDM4ETSHRKMT2AMEN1MAPT
SCHEMBL4790892 0.68 KDM4E (0.50) KDM4ETSHRGPR35KMT2AMEN1
SCHEMBL9543595 0.68 KDM4E (0.50) KDM4ETSHRKMT2AMEN1MAPT
SCHEMBL11129579 0.68 TSHR (0.49) KDM4ETSHRGPR35KMT2AMEN1
SCHEMBL10657820 0.68 ALDH1A1 (0.49) TSHRGPR35KMT2AMEN1SMN1; SMN2
SCHEMBL11035929 0.66 GPR35 (0.41) KDM4ETSHRGPR35MAPTMAPK1
SCHEMBL11035931 0.66 GPR35 (0.41) KDM4ETSHRGPR35MAPTMAPK1
SCHEMBL10797745 0.66 TDP1 (0.44) KDM4ETSHRGPR35KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960181-B2 Chromoionophore and method of determining potassium ions OPTI MEDICAL SYSTEMS (US) 2011-06-14 US disclosed
US-20070259443-A1 CHROMOIONOPHORE AND METHOD OF DETERMINING POTASSIUM IONS OPTI MEDICAL SYSTEMS, INC. 2007-11-08 US disclosed
US-6211359-B1 QUANTITATIVE ANALYSIS AVL MEDICAL INSTRUMENTS (CH) 2001-04-03 US disclosed