SCHEMBL17622007

SCHEMBL17622007

Cc1[nH]ncc1CN(C)CCI

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
PRMT1 Q99873 3/20 0.33
CARM1 Q86X55 2/20 0.33
PRMT6 Q96LA8 2/20 0.33
PRMT8 Q9NR22 2/20 0.33
PRMT3 O60678 1/20 0.33
AKT2 P31751 2/20 0.31
AKT1 P31749 1/20 0.31

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
SCHEMBL19245380 0.84 MEN1 (0.36) ALDH1A1MEN1KMT2AMAPK1TDP1
SCHEMBL16121814 0.82 CARM1 (0.42) ALDH1A1MEN1KMT2AMAPK1KDM4E
SCHEMBL18901285 0.79 KMT2A (0.37) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL3375523 0.66
SCHEMBL18756770 0.66
SCHEMBL14823458 0.66
SCHEMBL22216373 0.66 ALDH1A1 (0.31) ALDH1A1
Hydrochloric Acid SCHEMBL2011616 0.65 AKT2 (0.47) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL16201146 0.64 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPK1TDP1
SCHEMBL17950128 0.63

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
WO-2017136699-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF EPIZYME, INC (US) 2017-08-10 WO disclosed
WO-2016044556-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed