SCHEMBL13071401

SCHEMBL13071401

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)NS(=O)(=O)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL4793431 0.88
SCHEMBL12820010 0.88
SCHEMBL30251348 0.86 MEN1 (0.42) MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL10070322 0.86 MEN1 (0.42) MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8300226 0.83 NPC1 (0.45) MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL12558063 0.83 NPC1 (0.45) MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL15672689 0.83 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8296551 0.80
SCHEMBL13443785 0.80
SCHEMBL8276961 0.79 KMT2A (0.48) MEN1KMT2ASMN1; SMN2NPC1

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
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 WO disclosed