SCHEMBL19957787

SCHEMBL19957787

CC(C)c1snc2ncccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
HSP90AA1 P07900 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.33
IDO1 P14902 2/20 0.32
GRM4 Q14833 2/20 0.32
TNKS2 Q9H2K2 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.30
LIMK1 P53667 1/20 0.30
CCR1 P32246 1/20 0.30
CCR8 P51685 1/20 0.30
PSMD14 O00487 1/20 0.30
COPS5 Q92905 1/20 0.30
HSP90AB1 P08238 1/20 0.30
PSMB5 P28074 1/20 0.30

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
SCHEMBL16417610 0.75 NPC1 (0.43) NPC1HSP90AA1L3MBTL1LMNAKDM4E
SCHEMBL13656961 0.71 GPR3 (0.36) L3MBTL1KDM4EMAPTTSHRHTT
SCHEMBL4067274 0.71 MAPT (0.38) NPC1HSP90AA1L3MBTL1LMNAKDM4E
SCHEMBL8805116 0.71 MAPT (0.38) NPC1HSP90AA1L3MBTL1LMNAKDM4E
SCHEMBL15830162 0.70 NPC1 (0.35) NPC1HSP90AA1L3MBTL1LMNAKDM4E
SCHEMBL15935214 0.70 NPC1 (0.35) NPC1HSP90AA1L3MBTL1LMNAKDM4E
SCHEMBL15070855 0.70 HSP90AA1 (0.35) NPC1HSP90AA1L3MBTL1LMNAKDM4E
SCHEMBL14682709 0.68 HSP90AA1 (0.45) NPC1HSP90AA1L3MBTL1LMNAKDM4E
SCHEMBL8274147 0.67 L3MBTL1 (0.39) NPC1HSP90AA1L3MBTL1LMNAKDM4E
SCHEMBL12913581 0.67 LMNA (0.42) LMNAKDM4EMAPTTSHRSLC6A2

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