SCHEMBL8153352

SCHEMBL8153352

NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
PTGS2 P35354 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
GPR35 Q9HC97 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
CYP1A2 P05177 1/20 0.45
HIF1A Q16665 1/20 0.45
LMNA P02545 2/20 0.44
BACE1 P56817 1/20 0.43
MAOB P27338 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
SCHEMBL8153356 1.00 TDP1 (0.50) TDP1PTGS2ALDH1A1MAPK1MAPT
SCHEMBL1174503 0.86 MAPT (0.64) TDP1PTGS2ALDH1A1MAPK1MAPT
SCHEMBL3602553 0.86 MAPT (0.64) TDP1PTGS2ALDH1A1MAPK1MAPT
SCHEMBL989659 0.86 MAPT (0.64) TDP1PTGS2ALDH1A1MAPK1MAPT
SCHEMBL9657741 0.84 BACE1 (0.57) PTGS2MAPTLMNABACE1MAOB
SCHEMBL4933000 0.84 PTGS2 (0.54) TDP1PTGS2ALDH1A1MAPK1MAPT
SCHEMBL4933003 0.84 PTGS2 (0.54) TDP1PTGS2ALDH1A1MAPK1MAPT
SCHEMBL9657746 0.84 BACE1 (0.57) PTGS2MAPTLMNABACE1MAOB
SCHEMBL4861773 0.83 PTGS2 (0.52) PTGS2ALDH1A1MAPTKMT2AHTT
SCHEMBL22398056 0.83 ALDH1A1 (0.51) TDP1PTGS2ALDH1A1MAPTKMT2A

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
US-RE36625-E Linear and cyclic polymers or oligomers having a photoreactive ethene group ROLIC AG (CH) 2000-03-21 US disclosed
US-5539074-A LIQUID CRYSTAL POLYMERS ON SILICA FOR LIGHT SENSITIVE ELEMENTS HOFFMANN-LA ROCHE INC. (US) 1996-07-23 US disclosed