SCHEMBL1665327

SCHEMBL1665327

O=[N+]([O-])c1cc(I)ccc1CCO

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
SNCA P37840 3/20 0.42
TSHR P16473 3/20 0.42
PDK1 Q15118 1/20 0.39
ALDH1A1 P00352 4/20 0.38
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CHEK1 O14757 1/20 0.35
POLB P06746 1/20 0.35
GPR35 Q9HC97 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL29836036 1.00 CYP1A2 (0.42) CYP1A2SNCATSHRPDK1ALDH1A1
SCHEMBL27770958 0.90 CYP1A2 (0.41) CYP1A2SNCATSHRPDK1ALDH1A1
SCHEMBL888064 0.87 CYP1A2 (0.44) CYP1A2SNCATSHRPDK1ALDH1A1
SCHEMBL4428319 0.82 CYP1A2 (0.39) CYP1A2SNCATSHRPDK1ALDH1A1
SCHEMBL30291130 0.80 CYP1A2 (0.65) CYP1A2TSHRALDH1A1KDM4ETDP1
SCHEMBL888140 0.80 CYP1A2 (0.40) CYP1A2SNCATSHRPDK1ALDH1A1
SCHEMBL28135355 0.80 SNCA (0.47) CYP1A2SNCATSHRPDK1ALDH1A1
SCHEMBL679338 0.80 CYP1A2 (0.65) CYP1A2TSHRALDH1A1KDM4ETDP1
SCHEMBL14676339 0.80 CYP1A2 (0.40) CYP1A2SNCATSHRPDK1ALDH1A1
SCHEMBL11077316 0.79 CYP1A2 (0.69) CYP1A2SNCAPDK1ALDH1A1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010646-B Photoinduction synthesis method of indolone compound 南京大学 2024-02-06 CN disclosed
CN-115010646-A Photoinduction synthesis method of indolone compounds 南京大学 2022-09-06 CN disclosed
CN-103588839-A Nucleotides and nucleosides and method for their use in DNA sequencing LASERGEN INC 2014-02-19 CN disclosed
CN-102264917-A NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING 2011-11-30 CN disclosed
EP-2307565-A2 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING Lasergen, Inc. (US) 2011-04-13 EP disclosed
WO-2009152353-A2 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2009-12-17 WO disclosed
EP-2125856-A2 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING Lasergen, Inc. (US) 2009-12-02 EP disclosed
WO-2008070749-A2 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2008-06-12 WO disclosed