SCHEMBL14285232

SCHEMBL14285232

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

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 11/20 0.76
TSHR P16473 2/20 0.73
FSHR P23945 2/20 0.62
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CHRM4 P08173 1/20 0.41
MYC P01106 1/20 0.39
WDR5 P61964 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRAF P15056 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL6928354 0.88 LHCGR (0.58) LHCGRTSHRFSHRRAB9ANPC1
SCHEMBL5140326 0.87 LHCGR (0.73) LHCGRTSHRFSHRRAB9ANPC1
SCHEMBL4906981 0.87 LHCGR (0.56) LHCGRTSHRFSHRMYCWDR5
SCHEMBL4421168 0.87 LHCGR (0.84) LHCGRTSHRFSHRCHRM4BRAF
SCHEMBL14285233 0.87 LHCGR (0.56) LHCGRTSHRFSHRRAB9ANPC1
SCHEMBL4315364 0.86 LHCGR (1.00) LHCGRTSHRFSHRCHRM4BRAF
SCHEMBL4313210 0.85 LHCGR (1.00) LHCGRTSHRFSHRRAB9ANPC1
SCHEMBL5034024 0.85 LHCGR (0.65) LHCGRTSHRFSHRRAB9ANPC1
SCHEMBL4326072 0.85 LHCGR (1.00) LHCGRTSHRFSHRRAB9ANPC1
SCHEMBL5034065 0.84 LHCGR (0.67) LHCGRTSHRFSHRRAB9ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317006-B2 Thieno[2,3-d]pyrimidines with combined LH and FSH agonistic activity N.V. ORGANON (NL) 2008-01-08 US disclosed
US-7317006-B2 Thieno[2,3-d]pyrimidines with combined LH and FSH agonistic activity N.V. ORGANON (NL) 2008-01-08 US disclosed