SCHEMBL14104446

SCHEMBL14104446

Fc1ccc(-c2nc(Oc3ccc(F)cc3F)c3sccc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 7/20 0.41
▸ MAPT P10636 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MET P08581 3/20 0.39
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HTT P42858 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
SCHEMBL14104083 0.93 L3MBTL1 (0.39) TRPA1MAPTMAPK1L3MBTL1MET
SCHEMBL14103816 0.93 MTOR (0.40) TRPA1MAPTMAPK1L3MBTL1MET
SCHEMBL14103885 0.93 TRPA1 (0.38) TRPA1MAPTMAPK1L3MBTL1MET
SCHEMBL14103813 0.93 PIK3CA (0.40) TRPA1MAPTMAPK1L3MBTL1MET
SCHEMBL14103797 0.92 HTT (0.47) TRPA1MAPTMAPK1L3MBTL1ABCG2
SCHEMBL14103756 0.92 TRPA1 (0.41) TRPA1MAPTMAPK1L3MBTL1MET
SCHEMBL4574977 0.92 MAPK1 (0.51) TRPA1MAPTMAPK1L3MBTL1MET
SCHEMBL14103794 0.91 MAPK1 (0.40) MAPTMAPK1METKITFLT3
SCHEMBL14104442 0.91 MET (0.38) TRPA1MAPTMAPK1L3MBTL1MET
SCHEMBL14104186 0.90 MET (0.39) TRPA1MAPK1L3MBTL1METPDE4A

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
WO-2008092861-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO disclosed
Send feedback