SCHEMBL20489366

SCHEMBL20489366

COc1cccc(I)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.53
ALDH1A1 P00352 4/20 0.53
TLR8 Q9NR97 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PRMT1 Q99873 1/20 0.42
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL1961457 0.86 TDP1 (0.63) TDP1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL20509544 0.82 ALDH1A1 (0.47) TDP1ALDH1A1TLR8L3MBTL1MEN1
Methyl Alcohol SCHEMBL27781923 0.82 TDP1 (0.59) TDP1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL28641176 0.81 TLR8 (0.43) TDP1ALDH1A1TLR8L3MBTL1KDM4E
SCHEMBL14054978 0.81 ALDH1A1 (0.52) TDP1ALDH1A1TLR8MEN1KMT2A
SCHEMBL31549911 0.81 TDP1 (0.53) TDP1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL103199 0.81 TDP1 (0.53) TDP1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL10817391 0.80 L3MBTL1 (0.59) TDP1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL16590518 0.80 TDP1 (0.57) TDP1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL21963224 0.79 TLR8 (0.44) TDP1ALDH1A1TLR8L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109265350-A The synthetic method of acaricide Bifenazate intermediate 3- nitro -4- methoxyl biphenyl 山东省农药科学研究院 2019-01-25 CN claimed
CN-109265350-A The synthetic method of acaricide Bifenazate intermediate 3- nitro -4- methoxyl biphenyl 山东省农药科学研究院 2019-01-25 CN disclosed
WO-2018162610-A1 NOVEL PHOSPHORYLATION REAGENTS AND USES THEREOF ETH ZURICH (CH) 2018-09-13 WO disclosed
EP-3372610-A1 NOVEL PHOSPHORYLATION REAGENTS AND USES THEREOF ETH Zurich (CH) 2018-09-12 EP disclosed