SCHEMBL5043515

SCHEMBL5043515

CSc1nc(-c2cccc(OC(=O)Oc3ccccc3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 16/20 0.82
TSHR P16473 2/20 0.82
FSHR P23945 5/20 0.60
BRAF P15056 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
CHRM4 P08173 1/20 0.40

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
SCHEMBL5037092 0.94 LHCGR (0.87) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL5038376 0.92 LHCGR (0.75) LHCGRTSHRFSHR
SCHEMBL5140326 0.91 LHCGR (0.73) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL4326072 0.90 LHCGR (1.00) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL32156160 0.90 LHCGR (1.00) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL4429897 0.88 LHCGR (0.80) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL4426360 0.88 LHCGR (0.63) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL4421168 0.86 LHCGR (0.84) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL4315364 0.85 LHCGR (1.00) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL4313210 0.84 LHCGR (1.00) LHCGRTSHRFSHRBRAFPDE4A

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