SCHEMBL5034024

SCHEMBL5034024

CSc1nc(-c2cccc(NC(=O)Oc3ccc([N+](=O)[O-])cc3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 17/20 0.65
TSHR P16473 2/20 0.65
FSHR P23945 5/20 0.58
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4420434 0.90 LHCGR (0.51) LHCGRTSHRFSHRMEN1NPC1
SCHEMBL4422648 0.89 LHCGR (0.50) LHCGRTSHRFSHRMEN1NPC1
SCHEMBL5140326 0.89 LHCGR (0.73) LHCGRTSHRFSHRMEN1NPC1
SCHEMBL4425902 0.86 LHCGR (0.78) LHCGRTSHRFSHR
SCHEMBL14285232 0.85 LHCGR (0.76) LHCGRTSHRFSHRMEN1NPC1
SCHEMBL4425858 0.83 LHCGR (0.71) LHCGRTSHRFSHR
SCHEMBL5034065 0.82 LHCGR (0.67) LHCGRTSHRFSHRMEN1NPC1
SCHEMBL4432570 0.81 LHCGR (0.67) LHCGRTSHRFSHR
SCHEMBL14285229 0.81 LHCGR (0.73) LHCGRTSHRFSHR
SCHEMBL5028843 0.80 LHCGR (0.72) 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