SCHEMBL19957705

SCHEMBL19957705

CCOC(=O)COc1ccccc1SC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.56
ABCB1 P08183 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
PTPN1 P18031 1/20 0.51
S1PR4 O95977 1/20 0.51
ITGA4 P13612 1/20 0.51
S1PR1 P21453 1/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TLR9 Q9NR96 1/20 0.51
KDM4E B2RXH2 3/20 0.50
CASP3 P42574 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
SCHEMBL2010417 0.85 USP2 (0.67) USP2ABCB1SMN1; SMN2MAPTALDH1A1
SCHEMBL11825493 0.82 GLA (0.68) USP2ABCB1SMN1; SMN2MAPTALDH1A1
SCHEMBL2871937 0.80 MAPT (0.62) USP2ABCB1SMN1; SMN2MAPTALDH1A1
SCHEMBL9221920 0.80 L3MBTL1 (0.61) SMN1; SMN2MAPTALDH1A1HPGDL3MBTL1
SCHEMBL31607061 0.80 TSHR (0.61) SMN1; SMN2MAPTALDH1A1HPGDL3MBTL1
SCHEMBL3259595 0.79 USP2 (0.60) USP2ABCB1SMN1; SMN2MAPTALDH1A1
SCHEMBL3154126 0.79 L3MBTL1 (0.62) USP2ABCB1SMN1; SMN2MAPTALDH1A1
SCHEMBL20738265 0.79 KDM4E (0.56) SMN1; SMN2MAPTLMNAHPGDL3MBTL1
SCHEMBL5318188 0.79 SMN1; SMN2 (0.64) USP2ABCB1SMN1; SMN2MAPTALDH1A1
SCHEMBL20150488 0.78 ALDH1A1 (0.59) USP2ABCB1SMN1; SMN2MAPTALDH1A1

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
EP-2935247-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2019-08-28 EP disclosed
EP-2935243-B1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF EPIZYME INC (US) 2018-03-14 EP disclosed