SCHEMBL6672985

SCHEMBL6672985

CC(=O)NCC(=O)Nc1cn(-c2ccccc2)nc1-c1cccs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.59
KMT2A Q03164 10/20 0.59
MAPT P10636 7/20 0.59
TSHR P16473 2/20 0.59
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 11/20 0.51
KDM4E B2RXH2 6/20 0.51
HTT P42858 2/20 0.51
MITF O75030 1/20 0.51
XBP1 P17861 1/20 0.51
HPGD P15428 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 1/20 0.49
MCL1 Q07820 1/20 0.49
TDP1 Q9NUW8 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
SCHEMBL6681967 0.81 MEN1 (0.66) MEN1KMT2AMAPTTSHRLMNA
SCHEMBL6683498 0.81 MEN1 (0.59) MEN1KMT2AMAPTTSHRLMNA
SCHEMBL6678084 0.79 MAPT (0.72) MEN1KMT2AMAPTTSHRLMNA
SCHEMBL6676970 0.79 MAPT (0.66) MEN1KMT2AMAPTTSHRLMNA
SCHEMBL6679150 0.79 MEN1 (0.59) MEN1KMT2AMAPTTSHRLMNA
SCHEMBL6686801 0.78 MEN1 (0.71) MEN1KMT2AMAPTTSHRLMNA
SCHEMBL6676240 0.77 MEN1 (0.62) MEN1KMT2AMAPTTSHRLMNA
SCHEMBL6684407 0.77 KDM4E (0.70) MEN1KMT2AMAPTTSHRLMNA
SCHEMBL6677449 0.76 MEN1 (0.59) MEN1KMT2AMAPTTSHRLMNA
SCHEMBL6681190 0.76 MEN1 (0.64) MEN1KMT2AMAPTTSHRLMNA

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
WO-2004037248-A2 MODULATION OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ACTIVITY CAREX SA (FR) 2004-05-06 WO disclosed