SCHEMBL28619341

SCHEMBL28619341

O=[N+]([O-])c1ccc(Cl)c(Cl)c1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
ALDH1A1 P00352 3/20 0.47
VCAM1 P19320 3/20 0.44
FASN P49327 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TTR P02766 1/20 0.42
ALB P02768 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
FBP1 P09467 1/20 0.39
POLB P06746 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
SCHEMBL27714639 0.83 MAPT (0.51) TDP1ALDH1A1FASNCRHBPCRHR2
SCHEMBL11996397 0.83 TDP1 (0.48) TDP1ALDH1A1VCAM1MEN1KMT2A
SCHEMBL28553684 0.80 FABP3 (0.52) TDP1ALDH1A1FASNCRHBPCRHR2
SCHEMBL15987733 0.80 TDP1 (0.53) TDP1ALDH1A1FASNCRHBPCRHR2
SCHEMBL30462497 0.80 TDP1 (0.53) TDP1ALDH1A1FASNCRHBPCRHR2
SCHEMBL12425034 0.79 TDP1 (0.43) TDP1ALDH1A1VCAM1FASNTSHR
SCHEMBL9634727 0.78 CA1 (0.42) TDP1ALDH1A1VCAM1FASNCRHBP
SCHEMBL28221727 0.77 TDP1 (0.63) TDP1ALDH1A1CRHBPCRHR2TSHR
SCHEMBL1922535 0.75 TDP1 (0.43) TDP1ALDH1A1VCAM1TSHRMAPK1
SCHEMBL278488 0.74 TDP1 (1.00) TDP1ALDH1A1VCAM1TSHRMAPK1

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-113105462-B Organic compound, and electronic element and electronic device using same 陕西莱特光电材料股份有限公司 2022-05-31 CN disclosed
CN-113105462-A Organic compound, and electronic element and electronic device using same 陕西莱特光电材料股份有限公司 2021-07-13 CN disclosed