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SCHEMBL6220667

SCHEMBL6220667

COC(=O)CNCC(=O)Nc1cccc(-c2nc(-c3ccccc3)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LHCGR P22888 13/20 0.53
▸ TSHR P16473 2/20 0.53
▸ FSHR P23945 3/20 0.52
▸ BRAF P15056 5/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL6227679 0.90 LHCGR (0.49) LHCGRTSHRFSHRBRAFMEN1
SCHEMBL6224121 0.90 LHCGR (0.51) LHCGRTSHRFSHRBRAFMEN1
SCHEMBL6221420 0.89 LHCGR (0.69) LHCGRTSHRFSHR
SCHEMBL6225588 0.88 LHCGR (0.55) LHCGRTSHRFSHRBRAFMEN1
SCHEMBL5026188 0.87 LHCGR (0.51) LHCGRTSHRFSHRBRAFMEN1
SCHEMBL5028895 0.87 LHCGR (0.54) LHCGRTSHRFSHRBRAFRAB9A
SCHEMBL5028901 0.87 LHCGR (0.54) LHCGRTSHRFSHRBRAFMEN1
SCHEMBL6221309 0.85 LHCGR (0.52) LHCGRTSHRFSHRBRAFMEN1
SCHEMBL4426367 0.83 LHCGR (0.55) LHCGRTSHRFSHRBRAFMEN1
SCHEMBL5026187 0.82 LHCGR (0.52) LHCGRTSHRFSHRBRAFMEN1

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