SCHEMBL27965271

SCHEMBL27965271

O=C(Nc1cccc(-c2cccc([N+](=O)[O-])c2)c1)C(Cl)Cl

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.64
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
MAPT P10636 3/20 0.57
POLB P06746 2/20 0.57
DDX3X O00571 2/20 0.57
HTT P42858 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
ALOX5 P09917 1/20 0.53
ALDH1A1 P00352 3/20 0.53
BLM P54132 1/20 0.52
LMNA P02545 1/20 0.50
JAK3 P52333 1/20 0.49

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
SCHEMBL27964933 0.91 KMT2A (0.69) KMT2AMEN1MAPTPOLBDDX3X
SCHEMBL27964915 0.81 MGLL (0.66) CNR1KMT2AMEN1MAPTPOLB
SCHEMBL27965260 0.79 MGLL (0.64) CNR1KMT2AMEN1MAPTPOLB
SCHEMBL3972854 0.79 KMT2A (0.63) KMT2AMEN1MAPTPOLBDDX3X
SCHEMBL30469254 0.78 CNR1 (1.00) CNR1KMT2AMEN1MAPTPOLB
SCHEMBL20557635 0.78 CNR1 (1.00) CNR1KMT2AMEN1MAPTPOLB
SCHEMBL27965279 0.78 KMT2A (0.54) CNR1KMT2AMEN1MAPTHTT
SCHEMBL11215471 0.78 SMN1; SMN2 (0.67) KMT2AMEN1MAPTPOLBDDX3X
SCHEMBL8879539 0.77 CNR1 (0.59) CNR1KMT2AMEN1MAPTPOLB
SCHEMBL27964918 0.77 JAK3 (0.51) CNR1KMT2AMEN1MAPTHTT

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