SCHEMBL14103795

SCHEMBL14103795

Fc1ccc(Oc2nc(-c3cccc(Br)c3)nc3ccsc23)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ DHPS P49366 2/20 0.39
▸ TRPA1 O75762 5/20 0.38
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ MAPK1 P28482 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ PTGER1 P34995 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ HMOX1 P09601 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 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
SCHEMBL14103798 0.91 MAPK1 (0.44) L3MBTL1DHPSABCG2MAPK1ABCB1
SCHEMBL14104083 0.88 L3MBTL1 (0.39) L3MBTL1TRPA1ABCG2MAPK1KDM4E
SCHEMBL14104180 0.87 PIK3CA (0.47) L3MBTL1DHPSTRPA1ABCG2MAPK1
SCHEMBL4740912 0.87 ABCG2 (0.35) DHPSABCG2MAPK1KDM4EALDH1A1
SCHEMBL14104080 0.86 CYP1A2 (0.46) L3MBTL1DHPSTRPA1ABCG2MAPK1
SCHEMBL14104442 0.86 MET (0.38) L3MBTL1TRPA1ABCG2MAPK1ABCB1
SCHEMBL14104446 0.85 TRPA1 (0.41) L3MBTL1TRPA1ABCG2MAPK1KDM4E
SCHEMBL14103756 0.84 TRPA1 (0.41) L3MBTL1TRPA1MAPK1MAPTHTT
SCHEMBL14104081 0.84 MAPK1 (0.46) L3MBTL1DHPSTRPA1ABCG2MAPK1
SCHEMBL14103898 0.83 HDAC3 (0.38) L3MBTL1DHPSTRPA1MAPTHTT

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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