SCHEMBL28040904

SCHEMBL28040904

NC(=O)Cc1cc([N+](=O)[O-])ccc1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
CASP3 P42574 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
KCNJ1 P48048 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
PKM P14618 1/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.37
SERPINE1 P05121 1/20 0.36

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
SCHEMBL4477360 0.83 AKR1C3 (0.44) AKR1C3AKR1C2CYP1A2KMT2AHTT
SCHEMBL8166240 0.83 TDP1 (0.43) AKR1C3AKR1C2CYP1A2KMT2AHTT
SCHEMBL10562329 0.77 FFAR4 (0.45) MAPTPTGDR2EPHX2
SCHEMBL28215299 0.77 MAPK8 (0.41) EPHX2
SCHEMBL3723235 0.77 ALDH1A1 (0.50) CYP1A2KMT2AHTTMEN1MAPT
SCHEMBL8163363 0.77 NPBWR1 (0.44) AKR1C3AKR1C2CYP1A2KMT2AHTT
SCHEMBL9367150 0.76 AKR1C3 (0.50) AKR1C3AKR1C2KMT2AHTTMEN1
SCHEMBL8431994 0.75 GPR35 (0.51) AKR1C3AKR1C2KMT2AHTTMEN1
SCHEMBL31721280 0.75 GPR35 (0.51) AKR1C3AKR1C2KMT2AHTTMEN1
SCHEMBL4002644 0.75 GAA (0.54) CYP1A2KMT2AMEN1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105228982-B 3-acetylamino-1- (phenyl-heteroaryl-aminocarbonyl or phenyl-heteroaryl-carbonylamino) benzene derivatives for the treatment of hyperproliferative disorders 拜耳制药股份公司 2018-03-27 CN disclosed
CN-105579457-B Substituted N-biphenyl-3-acetylamino-benzamides and N- [3- (acetylamino) phenyl ] -biphenyl-carboxamides and their use as WNT signaling pathway inhibitors 拜耳制药股份公司 2017-08-04 CN disclosed
CN-106459072-A Inhibitors of the Wnt signaling pathway 拜耳制药股份公司 2017-02-22 CN disclosed
CN-105579457-A Substituted N-biphenyl-3-acetylamino-benzamides and N- [3- (acetylamino) phenyl ] -biphenyl-carboxamides and their use as WNT signaling pathway inhibitors Bayer Pharma AG 2016-05-11 CN disclosed
CN-105228982-A 3-acetylamino-1- (phenyl-heteroaryl-aminocarbonyl or phenyl-heteroaryl-carbonylamino) benzene derivatives for the treatment of hyperproliferative disorders Bayer Pharma AG 2016-01-06 CN disclosed