SCHEMBL7106993

SCHEMBL7106993

O=C1C=Cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.55
S100A4 P26447 2/20 0.55
CA9 Q16790 3/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
TDP1 Q9NUW8 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
CES1 P23141 1/20 0.49
MAPT P10636 3/20 0.45
CYP1A2 P05177 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MCL1 Q07820 1/20 0.44
CA12 O43570 2/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL8598895 0.89 PTPRC (0.56) PTPRCS100A4CA9CA1CA2
SCHEMBL15442560 0.85 PTPRC (0.55) PTPRCS100A4CA9CA1CA2
SCHEMBL29370560 0.85 PTPRC (0.55) PTPRCS100A4CA9CA1CA2
SCHEMBL9158448 0.84 PTPRC (0.64) PTPRCS100A4CA9CA1CA2
SCHEMBL8427282 0.83 PTPRC (0.50) PTPRCS100A4CA9CA1CA2
SCHEMBL8427283 0.80 PTPRC (0.46) PTPRCS100A4CA9CA1CA2
SCHEMBL5886292 0.78 PTPRC (0.56) PTPRCS100A4CA9CA1CA2
SCHEMBL9122070 0.77 HIF1A (0.53) PTPRCS100A4CA9CA1TDP1
SCHEMBL4233516 0.72 CA9 (0.62) PTPRCS100A4CA9CA1TDP1
SCHEMBL11207794 0.71 PTPRC (0.83) PTPRCS100A4CA9CA1CA2

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
CN-101005761-B Imazalil compositions comprising alkoxylated amines JANSSEN PHARMACEUTICA NV 2010-06-16 CN disclosed
CN-101005761-A Imazalil compositions comprising alkoxylated amines JANSSEN PHARMACEUTICA NV (BE) 2007-07-25 CN disclosed
EP-0923543-B1 POTASSIUM CHANNEL INHIBITORS ICAGEN INC (US) 2003-09-24 EP disclosed
US-6083986-A Potassium channel inhibitors ICAGEN, INC. (US) 2000-07-04 US disclosed
EP-0923543-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 1999-06-23 EP disclosed
WO-1998004521-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 1998-02-05 WO disclosed