SCHEMBL6674161

SCHEMBL6674161

CC(CCN)Cc1cn(-c2ccccc2)nc1-c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.47
MEN1 O00255 9/20 0.47
MAPT P10636 7/20 0.47
KDM4E B2RXH2 4/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 3/20 0.47
USP2 O75604 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 10/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HPGD P15428 2/20 0.43
MAOB P27338 1/20 0.43
HTT P42858 2/20 0.42
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6670350 0.81 KMT2A (0.53) KMT2AMEN1MAPTKDM4ETSHR
SCHEMBL14133155 0.76 ALDH1A1 (0.64) KMT2AMEN1MAPTKDM4ETSHR
SCHEMBL6673765 0.74 ALDH1A1 (0.51) KMT2AMEN1MAPTKDM4ETSHR
SCHEMBL11157838 0.73 ALDH1A1 (0.67) KMT2AMEN1MAPTKDM4ETSHR
SCHEMBL6678055 0.72 ALDH1A1 (0.54) KMT2AMEN1MAPTKDM4ETSHR
SCHEMBL6673810 0.72 MEN1 (0.56) KMT2AMEN1MAPTKDM4ETSHR
SCHEMBL6674164 0.71 ALDH1A1 (0.48) KMT2AMEN1MAPTKDM4ETSHR
SCHEMBL6677498 0.70 KDM4E (0.49) KMT2AMEN1MAPTKDM4ETSHR
SCHEMBL6672876 0.69 KDM5B (0.60) KMT2AMEN1MAPTKDM4ETSHR
SCHEMBL11960241 0.68 ALDH1A1 (0.55) KMT2AMEN1MAPTKDM4ETSHR

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