SCHEMBL6223952

SCHEMBL6223952

CN(CCO)CC(=O)Nc1cccc(-c2nc(-c3ccco3)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 8/20 0.48
FSHR P23945 2/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
BRAF P15056 5/20 0.40
NPSR1 Q6W5P4 1/20 0.37
LIMK1 P53667 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5030956 0.91 BRAF (0.47) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5026958 0.88 LHCGR (0.51) LHCGRFSHRTSHRMAPTMEN1
SCHEMBL6222882 0.87 LHCGR (0.48) LHCGRFSHRTSHRMAPTMEN1
SCHEMBL6222764 0.86 LHCGR (0.52) LHCGRFSHRTSHRMEN1KMT2A
SCHEMBL6223594 0.86 LHCGR (0.49) LHCGRFSHRTSHRMAPTMEN1
SCHEMBL5030864 0.85 LHCGR (0.68) LHCGRFSHRTSHRBRAF
SCHEMBL6224121 0.84 LHCGR (0.51) LHCGRFSHRTSHRMAPTMEN1
SCHEMBL5026952 0.84 LHCGR (0.49) LHCGRFSHRTSHRMEN1KMT2A
SCHEMBL5024691 0.82 LHCGR (0.57) LHCGRFSHRTSHRMAPTMEN1
SCHEMBL6224284 0.81 LHCGR (0.50) LHCGRFSHRTSHRMAPTMEN1

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-1427734-B1 GLYCINE-SUBSTITUTED THIENO[2,3-d]PYRIMIDINES WITH COMBINED LH AND FSH AGONISTIC ACTIVITY AKZO NOBEL NV (NL) 2005-11-09 EP claimed