SCHEMBL6686801

SCHEMBL6686801

O=C(Nc1cn(-c2ccccc2)nc1-c1cccs1)c1cccs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.71
KMT2A Q03164 9/20 0.71
MAPT P10636 8/20 0.71
TSHR P16473 1/20 0.71
ADORA3 P0DMS8 3/20 0.61
ADORA1 P30542 1/20 0.61
ALDH1A1 P00352 9/20 0.60
KDM4E B2RXH2 6/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2D6 P10635 1/20 0.60
HPGD P15428 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
LMNA P02545 4/20 0.55
USP2 O75604 2/20 0.54
TP53 P04637 2/20 0.54
MAPK1 P28482 1/20 0.54
GAA P10253 2/20 0.53
MCL1 Q07820 1/20 0.53

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
SCHEMBL6678084 0.89 MAPT (0.72) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6688828 0.85 MEN1 (0.67) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL6684407 0.84 KDM4E (0.70) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6676970 0.84 MAPT (0.66) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6679138 0.83 MAPT (0.64) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6683017 0.81 MAPT (0.68) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6680339 0.81 ADORA3 (0.66) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6683268 0.81 MAPT (0.62) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6683414 0.81 MAPT (0.62) MEN1KMT2AMAPTTSHRADORA3
SCHEMBL6681967 0.79 MEN1 (0.66) MEN1KMT2AMAPTTSHRADORA3

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