SCHEMBL4574977

SCHEMBL4574977

Fc1ccc(Oc2nc(-c3ccncc3)nc3ccsc23)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ TRPA1 O75762 7/20 0.43
▸ PRKCI P41743 6/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ MET P08581 1/20 0.37
▸ MAPK14 Q16539 1/20 0.36

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
SCHEMBL14104446 0.92 TRPA1 (0.41) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL4574905 0.89 MAPK1 (0.49) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL14103885 0.87 TRPA1 (0.38) MAPK1TRPA1L3MBTL1MAPTMET
SCHEMBL14103816 0.87 MTOR (0.40) MAPK1TRPA1L3MBTL1MAPTMET
SCHEMBL14104083 0.87 L3MBTL1 (0.39) MAPK1TRPA1L3MBTL1MAPTMET
SCHEMBL14103813 0.87 PIK3CA (0.40) MAPK1TRPA1L3MBTL1MAPTMET
SCHEMBL14095004 0.86 TRPA1 (0.37) MAPK1TRPA1L3MBTL1MAPTMET
SCHEMBL14103797 0.86 HTT (0.47) MAPK1TRPA1L3MBTL1MAPT
SCHEMBL14103756 0.86 TRPA1 (0.41) MAPK1TRPA1L3MBTL1MAPTMET
SCHEMBL4573992 0.86 MAPK1 (0.44) MAPK1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008092862-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO claimed
WO-2008092862-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO disclosed
WO-2008092862-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO disclosed
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