SCHEMBL4973647

SCHEMBL4973647

O=[N+]([O-])Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.48
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
MEN1 O00255 3/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 2/20 0.48
HIF1A Q16665 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TTR P02766 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
RECQL P46063 1/20 0.48
PMP22 Q01453 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP19A1 P11511 1/20 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
SCHEMBL1875008 0.87 ALDH1A1 (0.56) GPR35ALDH1A1KMT2ATDP1MEN1
SCHEMBL11852192 0.85 ALDH1A1 (0.54) GPR35ALDH1A1KMT2ATDP1MEN1
SCHEMBL1091374 0.85 ALDH1A1 (0.54) GPR35ALDH1A1KMT2ATDP1MEN1
Ammonia Solution, Strong SCHEMBL5480019 0.84 ALDH1A1 (0.53) GPR35ALDH1A1KMT2ATDP1MEN1
Ammonia Solution, Strong SCHEMBL2831339 0.84 ALDH1A1 (0.53) GPR35ALDH1A1KMT2ATDP1MEN1
Ammonia Solution, Strong SCHEMBL17891329 0.84 ALDH1A1 (0.53) GPR35ALDH1A1KMT2ATDP1MEN1
SCHEMBL28778187 0.82 GPR35 (0.52) GPR35ALDH1A1KMT2ATDP1MEN1
SCHEMBL1685023 0.82 KMT2A (0.53) GPR35ALDH1A1KMT2ATDP1MEN1
SCHEMBL3133576 0.82 GPR35 (0.44) GPR35ALDH1A1KMT2ATDP1MEN1
Ammonia Solution, Strong SCHEMBL9736773 0.80 KMT2A (0.51) GPR35ALDH1A1KMT2ATDP1MEN1

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
EP-2643481-B1 METHODS AND KITS FOR DIFFERENTIAL STAINING OF ABNORMAL URINARY SYSTEM CELLS ZETIQ TECHNOLOGIES LTD (IL) 2016-04-27 EP disclosed
US-20130266960-A1 Methods And Kits For Differential Staining Of Abnormal Urinary System Cells ZETIQ TECHNOLOGIES LTD. (IL) 2013-10-10 US disclosed
EP-2643481-A1 METHODS AND KITS FOR DIFFERENTIAL STAINING OF ABNORMAL URINARY SYSTEM CELLS Zetiq Technologies Ltd. (IL) 2013-10-02 EP disclosed
WO-2012070041-A1 METHODS AND KITS FOR DIFFERENTIAL STAINING OF ABNORMAL URINARY SYSTEM CELLS ZETIQ TECHNOLOGIES LTD. (IL) 2012-05-31 WO disclosed
EP-1991852-A2 METHODS AND COMPOSITIONS FOR IDENTIFYING A CELL PHENOTYPE Zetiq Technologies Ltd. (IL) 2008-11-19 EP disclosed
WO-2007102146-A2 METHODS AND COMPOSITIONS FOR IDENTIFYING A CELL PHENOTYPE ZETIQ TECHNOLOGIES LTD. (IL) 2007-09-13 WO disclosed