SCHEMBL28828233

SCHEMBL28828233

Clc1nc2ccccc2nc1-c1c[c]ccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
PKM P14618 1/20 0.65
L3MBTL1 Q9Y468 4/20 0.53
TDP1 Q9NUW8 3/20 0.47
LMNA P02545 4/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
ALDH1A1 P00352 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
THRB P10828 1/20 0.34
PDE4B Q07343 2/20 0.34
PDE4D Q08499 1/20 0.34
MAPT P10636 1/20 0.33
TYMS P04818 1/20 0.33
CFTR P13569 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32

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
SCHEMBL21382895 0.84 KDM4E (0.53) KDM4EPKML3MBTL1TDP1LMNA
SCHEMBL28338278 0.81 KDM4E (0.68) KDM4EPKML3MBTL1TDP1LMNA
SCHEMBL28065527 0.79 KDM4E (0.47) KDM4EPKML3MBTL1TDP1LMNA
SCHEMBL1545355 0.79 KDM4E (1.00) KDM4EPKML3MBTL1TDP1LMNA
SCHEMBL28600927 0.76 NUDT1 (0.43) KDM4EPKML3MBTL1TDP1LMNA
SCHEMBL19819297 0.76 KDM4E (0.92) KDM4EPKML3MBTL1TDP1LMNA
SCHEMBL10562765 0.72 KDM4E (0.77) KDM4EPKML3MBTL1TDP1LMNA
SCHEMBL21941945 0.71 KDM4E (0.75) KDM4EPKML3MBTL1TDP1LMNA
SCHEMBL30939449 0.71 KDM4E (0.75) KDM4EPKML3MBTL1TDP1LMNA
SCHEMBL28474575 0.71 KDM4E (0.81) KDM4EPKML3MBTL1TDP1LMNA

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-105683182-A Biaryl acetamide compounds and methods of use thereof 埃姆比特生物科学公司 2016-06-15 CN disclosed