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SCHEMBL5037288

SCHEMBL5037288

COc1ccccc1NC(=O)Nc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LHCGR P22888 13/20 0.70
▸ TSHR P16473 2/20 0.70
▸ FSHR P23945 2/20 0.60
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ BRAF P15056 3/20 0.45

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
SCHEMBL4429167 0.90 BRAF (0.55) LHCGRTSHRFSHRMEN1KMT2A
SCHEMBL4425902 0.87 LHCGR (0.78) LHCGRTSHRFSHRBRAF
SCHEMBL4326072 0.83 LHCGR (1.00) LHCGRTSHRFSHRMEN1KMT2A
SCHEMBL32156160 0.83 LHCGR (1.00) LHCGRTSHRFSHRMEN1KMT2A
SCHEMBL14285229 0.83 LHCGR (0.73) LHCGRTSHRFSHRBRAF
SCHEMBL4425858 0.82 LHCGR (0.71) LHCGRTSHRFSHRBRAF
SCHEMBL5028843 0.82 LHCGR (0.72) LHCGRTSHRFSHRBRAF
SCHEMBL30068464 0.81 LHCGR (0.69) LHCGRTSHRFSHRMAPT
SCHEMBL29997908 0.81 LHCGR (0.71) LHCGRTSHRFSHRBRAF
SCHEMBL6221420 0.81 LHCGR (0.69) LHCGRTSHRFSHR

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-1886999-A2 Bicyclic heteroaromatic compound N.V. Organon (NL) 2008-02-13 — — EP disclosed