SCHEMBL14104083

SCHEMBL14104083

Fc1ccc(Oc2nc(-c3ccc(Br)cc3)nc3ccsc23)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TRPA1 O75762 7/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ MET P08581 3/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ PDGFRB P09619 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL14104442 0.93 MET (0.38) L3MBTL1TRPA1MAPK1MAPTABCG2
SCHEMBL14104446 0.93 TRPA1 (0.41) L3MBTL1TRPA1MAPK1MAPTABCG2
SCHEMBL14103756 0.90 TRPA1 (0.41) L3MBTL1TRPA1MAPK1MAPTMET
SCHEMBL14103816 0.89 MTOR (0.40) L3MBTL1TRPA1MAPK1MAPTMET
SCHEMBL14103813 0.89 PIK3CA (0.40) L3MBTL1TRPA1MAPK1MAPTMET
SCHEMBL14103885 0.89 TRPA1 (0.38) L3MBTL1TRPA1MAPK1MAPTMET
SCHEMBL14103795 0.88 L3MBTL1 (0.39) L3MBTL1TRPA1MAPK1MAPTABCG2
SCHEMBL14103797 0.88 HTT (0.47) L3MBTL1TRPA1MAPK1MAPTABCG2
SCHEMBL4574977 0.87 MAPK1 (0.51) L3MBTL1TRPA1MAPK1MAPTMET
SCHEMBL14103771 0.86 TRPA1 (0.37) L3MBTL1TRPA1MAPK1MAPTMET

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
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