SCHEMBL5276414

SCHEMBL5276414

O=Cc1cccc(Oc2ccc(F)cc2F)c1I

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 4/20 0.46
▸ TRPA1 O75762 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ EPAS1 Q99814 1/20 0.39
▸ ERN1 O75460 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAP4K4 O95819 1/20 0.37
▸ NPSR1 Q6W5P4 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
SCHEMBL275968 0.82 HSPB1 (0.46) HSPB1TRPA1ALDH1A1HTTEPAS1
SCHEMBL3960774 0.76 HSPB1 (0.48) HSPB1TRPA1ALDH1A1HTTKMT2A
SCHEMBL10456772 0.75 TRPA1 (0.56) HSPB1TRPA1ALDH1A1EPAS1MAP4K4
SCHEMBL21129891 0.75 HSPB1 (0.41) HSPB1TRPA1ALDH1A1HTTEPAS1
SCHEMBL22809757 0.75 ALDH1A1 (0.44) HSPB1TRPA1ALDH1A1HTTEPAS1
SCHEMBL19524123 0.74 ERN1 (0.41) HSPB1TRPA1ALDH1A1HTTEPAS1
SCHEMBL5991434 0.74 SCN8A (0.45) HSPB1TRPA1ALDH1A1HTTEPAS1
SCHEMBL30159449 0.73 TRPA1 (0.53) HSPB1TRPA1ALDH1A1HTTEPAS1
SCHEMBL19563735 0.73 SCN8A (0.46) HSPB1TRPA1ALDH1A1HTTEPAS1
SCHEMBL1137695 0.73 PTGER3 (0.58) ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784390-A2 SUBSTITUTED BENZOFUSED HETEROCYCLES Amgen Inc. (US) 2007-05-16 — — EP disclosed
WO-2006020959-A2 SUBSTITUTED BENZOFUSED HETEROCYCLES AMGEN INC. (US) 2006-02-23 — — WO disclosed
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