SCHEMBL3787884

SCHEMBL3787884

COc1c(-c2ccccc2)cc(Oc2ccc(F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ XDH P47989 1/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39
▸ TUBA4A P68366 1/20 0.39
▸ TUBB4B P68371 1/20 0.39

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
SCHEMBL5038000 0.84 ALDH1A1 (0.49) ALDH1A1MAPTTDP1RAB9ANPC1
SCHEMBL30640280 0.74 SLC6A4 (0.48) HSPB1ALDH1A1TDP1XDHMEN1
SCHEMBL28489114 0.74 SLC6A4 (0.48) HSPB1ALDH1A1TDP1XDHMEN1
SCHEMBL21708340 0.73 HTR7 (0.48) HSPB1ALDH1A1MAPTGAATDP1
SCHEMBL31009349 0.73 HSPB1 (0.62) HSPB1ALDH1A1MAPTGAATDP1
SCHEMBL9312797 0.73 ALDH1A1 (0.56) ALDH1A1MAPTGAATDP1RAB9A
SCHEMBL99419 0.73 ALDH1A1 (0.57) ALDH1A1MAPTTDP1RAB9ANPC1
SCHEMBL11452569 0.72 ALDH1A1 (0.59) ALDH1A1MAPTTDP1RAB9ANPC1
SCHEMBL7803368 0.71 TDP1 (0.62) ALDH1A1TDP1RAB9ANPC1CASP3
SCHEMBL7544094 0.71 IKBKB (0.58) ALDH1A1TDP1CRHBPCRHR2

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-2222638-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2010-09-01 — — EP disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 — — WO disclosed
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