SCHEMBL19957594

SCHEMBL19957594

O=C(COc1ccccc1N1CCOCC1)NCCCN1CCc2ccccc2C1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 14/20 0.71
WDR77 Q9BQA1 7/20 0.71
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
ALOX15 P16050 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
DRD2 P14416 1/20 0.49
HTR2A P28223 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
SCHEMBL19957605 0.90 PRMT5 (0.72) PRMT5WDR77GAAHPGDDRD2
SCHEMBL19957757 0.89 PRMT5 (0.71) PRMT5WDR77GAAHPGD
SCHEMBL19957588 0.87 PRMT5 (0.73) PRMT5WDR77GAAHPGDALDH1A1
SCHEMBL15935383 0.83 PRMT5 (1.00) PRMT5WDR77
SCHEMBL15935382 0.83 PRMT5 (1.00) PRMT5WDR77
SCHEMBL15824917 0.83 PRMT5 (1.00) PRMT5WDR77
SCHEMBL19957667 0.80 PRMT5 (0.66) PRMT5WDR77DRD2HTR2A
SCHEMBL19957640 0.79 PRMT5 (0.71) PRMT5WDR77HPGDKDM4EALDH1A1
SCHEMBL19957636 0.79 PRMT5 (0.57) PRMT5WDR77GAAHPGDDRD2
SCHEMBL19957637 0.78 PRMT5 (0.71) PRMT5WDR77DRD2HTR2A

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
EP-2935243-B1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF EPIZYME INC (US) 2018-03-14 EP disclosed