SCHEMBL28053128

SCHEMBL28053128

O=[N+]([O-])c1cccc(Oc2cccc3ccccc23)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.59
ABCG2 Q9UNQ0 1/20 0.54
PTGES O14684 1/20 0.53
MAPT P10636 5/20 0.48
LMNA P02545 4/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 2/20 0.47
RECQL P46063 1/20 0.47
PIN1 Q13526 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
FAAH O00519 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL11453175 0.87 LMNA (0.57) ABCG2MAPTLMNATSHRALDH1A1
SCHEMBL347599 0.84 HSPB1 (0.53) ALOX5PTGESMAPTLMNAHTT
SCHEMBL7227379 0.83 ALOX5 (0.52) ALOX5ABCG2PTGESMAPTLMNA
SCHEMBL7228045 0.82 ALOX5 (0.47) ALOX5ABCG2PTGESMAPTLMNA
SCHEMBL9688249 0.81 MAPT (0.58) ABCG2MAPTLMNATSHRHTT
SCHEMBL10596737 0.80 MEN1 (0.56) ABCG2MAPTLMNATSHRALDH1A1
SCHEMBL5271515 0.80 L3MBTL1 (0.55) MAPTLMNATSHRHTTALDH1A1
SCHEMBL7457094 0.80 KCNA3 (0.52) MAPTLMNAHTTALDH1A1MEN1
SCHEMBL4203388 0.80 TSHR (0.67) ABCG2MAPTLMNATSHRHTT
SCHEMBL7221171 0.80 MEN1 (0.47) ALOX5ABCG2MEN1KMT2ACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105669576-B A kind of Fungicidal compounds, microbicide compositions and preparation and its application 浙江博仕达作物科技有限公司 2018-12-04 CN disclosed
CN-105669576-A Germicidal compound, germicide composition and preparation and application of germicide composition and preparation 华中师范大学 2016-06-15 CN disclosed