SCHEMBL6822735

SCHEMBL6822735

N#CC(N)[C@@H]1CC(=O)NC1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.39
CYP19A1 P11511 1/20 0.34
MEN1 O00255 1/20 0.33
APEX1 P27695 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CRBN Q96SW2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.31
IDO1 P14902 2/20 0.31

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
SCHEMBL22394492 0.75 MAP3K14 (0.41) MAP3K14CYP19A1MEN1APEX1KMT2A
SCHEMBL9632941 0.72
SCHEMBL4418866 0.71 MAP3K14 (0.38) MAP3K14CYP19A1MEN1APEX1KMT2A
SCHEMBL22394491 0.71 MAP3K14 (0.38) MAP3K14CYP19A1MEN1APEX1KMT2A
SCHEMBL11046047 0.71 MEN1 (0.39) MAP3K14MEN1APEX1KMT2ATDP1
SCHEMBL2956440 0.70 MAP3K14 (0.44) MAP3K14CYP19A1MEN1APEX1KMT2A
SCHEMBL25905221 0.70 MAP3K14 (0.44) MAP3K14CYP19A1MEN1APEX1KMT2A
SCHEMBL25905222 0.70 MAP3K14 (0.44) MAP3K14CYP19A1MEN1APEX1KMT2A
SCHEMBL11122420 0.70 MAP3K14 (0.44) MAP3K14CYP19A1MEN1APEX1KMT2A
SCHEMBL11063892 0.68 NPC1 (0.36) MAP3K14CYP19A1MEN1APEX1KMT2A

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-2004022536-A1 NEW HETEROCYCLIC AMIDE COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (US) 2004-03-18 WO disclosed