SCHEMBL14095007

SCHEMBL14095007

Fc1ccc(Oc2nc(-c3ccc(Br)s3)nc3ccsc23)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 10/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MET P08581 3/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32

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 0.82 L3MBTL1 (0.39) TRPA1L3MBTL1METBRD4MAPT
SCHEMBL14104446 0.82 TRPA1 (0.41) TRPA1L3MBTL1METBRD4MAPT
SCHEMBL14103795 0.80 L3MBTL1 (0.39) TRPA1L3MBTL1MAPTHTT
SCHEMBL4574977 0.79 MAPK1 (0.51) TRPA1L3MBTL1METMAPT
SCHEMBL14103756 0.79 TRPA1 (0.41) TRPA1L3MBTL1METBRD4MAPT
SCHEMBL14103771 0.78 TRPA1 (0.37) TRPA1L3MBTL1METBRD4MAPT
SCHEMBL14104442 0.78 MET (0.38) TRPA1L3MBTL1METBRD4MAPT
SCHEMBL14103813 0.78 PIK3CA (0.40) TRPA1L3MBTL1METBRD4MAPT
SCHEMBL14103885 0.78 TRPA1 (0.38) TRPA1L3MBTL1METBRD4MAP4K4
SCHEMBL14103816 0.78 MTOR (0.40) TRPA1L3MBTL1METBRD4MAP4K4

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