SCHEMBL6224121

SCHEMBL6224121

COC(=O)CNCC(=O)Nc1cccc(-c2nc(-c3ccco3)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 11/20 0.51
TSHR P16473 2/20 0.51
FSHR P23945 2/20 0.49
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
BRAF P15056 3/20 0.39
NPSR1 Q6W5P4 1/20 0.37
LIMK1 P53667 1/20 0.37

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
SCHEMBL6220667 0.90 LHCGR (0.53) LHCGRTSHRFSHRMEN1KMT2A
SCHEMBL5026958 0.88 LHCGR (0.51) LHCGRTSHRFSHRMAPTMEN1
SCHEMBL6223594 0.88 LHCGR (0.49) LHCGRTSHRFSHRMAPTMEN1
SCHEMBL6227679 0.86 LHCGR (0.49) LHCGRTSHRFSHRMAPTMEN1
SCHEMBL6221420 0.85 LHCGR (0.69) LHCGRTSHRFSHR
SCHEMBL6225588 0.84 LHCGR (0.55) LHCGRTSHRFSHRMEN1KMT2A
SCHEMBL6223952 0.84 LHCGR (0.48) LHCGRTSHRFSHRMAPTMEN1
SCHEMBL5026188 0.83 LHCGR (0.51) LHCGRTSHRFSHRMEN1KMT2A
SCHEMBL5024691 0.82 LHCGR (0.57) LHCGRTSHRFSHRMAPTMEN1
SCHEMBL6221309 0.82 LHCGR (0.52) LHCGRTSHRFSHRMEN1KMT2A

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