SCHEMBL13187983

SCHEMBL13187983

COC(=O)N(C)C(Cc1nccn1C)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ MLYCD O95822 1/20 0.32
▸ NOX1 Q9Y5S8 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL10141004 0.87 LMNA (0.35) FDPSLMNAKMT2AMEN1NPC1
SCHEMBL14853086 0.74 FDPS (0.38) FDPSLMNAKMT2AMEN1NPC1
SCHEMBL18117397 0.74 FDPS (0.38) FDPSLMNAKMT2AMEN1NPC1
SCHEMBL18994931 0.72 FDPS (0.41) FDPSLMNAKMT2AMEN1NPC1
SCHEMBL27980070 0.72 FDPS (0.41) FDPSLMNAKMT2AMEN1NPC1
SCHEMBL25647654 0.71 FDPS (0.40) FDPSLMNAKMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL25222775 0.70 FDPS (0.39) FDPSLMNAKMT2AMEN1NPC1
SCHEMBL690630 0.69 ITGA4 (0.43) FDPSLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL690631 0.69 ITGA4 (0.43) FDPSLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL3396713 0.67 OPRK1 (0.46) FDPSLMNAKMT2AMEN1SMN1; SMN2

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
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 — — WO disclosed
Send feedback