SCHEMBL19957718

SCHEMBL19957718

COc1ccc2cccc(OCC(=O)NCCCN3CCc4ccccc4C3)c2n1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 18/20 0.73
WDR77 Q9BQA1 11/20 0.73
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL19957533 0.87 PRMT5 (0.74) PRMT5WDR77
SCHEMBL19957640 0.87 PRMT5 (0.71) PRMT5WDR77KDM4EALDH1A1HPGD
SCHEMBL15825537 0.85 PRMT5 (1.00) PRMT5WDR77
SCHEMBL15935388 0.85 PRMT5 (1.00) PRMT5WDR77
SCHEMBL15825539 0.85 PRMT5 (1.00) PRMT5WDR77
SCHEMBL19957697 0.84 MTNR1A (0.60) PRMT5WDR77KDM4ENPC1ALDH1A1
SCHEMBL15818387 0.80 PRMT5 (0.69) PRMT5WDR77KDM4ENPC1ALDH1A1
SCHEMBL19957605 0.79 PRMT5 (0.72) PRMT5WDR77GAAHPGD
SCHEMBL19957637 0.78 PRMT5 (0.71) PRMT5WDR77
SCHEMBL19957667 0.76 PRMT5 (0.66) PRMT5WDR77

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