SCHEMBL27965263

SCHEMBL27965263

NCc1ccc(-c2cccc(NC(=O)C(Cl)Cl)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.52
F9 P00740 1/20 0.51
JAK3 P52333 1/20 0.50
CNR1 P21554 3/20 0.48
MGLL Q99685 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
ENPP2 Q13822 1/20 0.47
CYP17A1 P05093 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
HDAC1 Q13547 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CNR2 P34972 1/20 0.44
IGF1R P08069 1/20 0.44

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
SCHEMBL27964937 0.91 CFD (0.63) CFDJAK3MGLLENPP2MEN1
SCHEMBL27965258 0.89 JAK3 (0.50) JAK3CNR1MGLLENPP2CYP17A1
SCHEMBL27965272 0.87 JAK3 (0.49) JAK3CNR1MGLLENPP2CYP17A1
SCHEMBL27965260 0.86 MGLL (0.64) JAK3CNR1MGLLENPP2HDAC1
SCHEMBL27964915 0.85 MGLL (0.66) JAK3CNR1MGLLHDAC1MEN1
SCHEMBL27965266 0.84 CNR1 (0.68) JAK3CNR1MGLLCNR2
SCHEMBL27964948 0.82 CNR1 (0.62) JAK3CNR1MGLLMEN1ALDH1A1
SCHEMBL27965265 0.82 JAK3 (0.52) JAK3CNR1MGLLMEN1ALDH1A1
SCHEMBL27734848 0.82 CFD (0.61) CFDCNR1MGLLTAAR1ENPP2
SCHEMBL28047630 0.82 CFD (0.57) CFDCNR1MGLLTAAR1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103864750-A Derivative of N-biphenyl dichloroacetamide as well as preparation method and applications thereof UNIV TSINGHUA 2014-06-18 CN disclosed