SCHEMBL8809408

SCHEMBL8809408

Cc1cc(OCc2ccccc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ GAA P10253 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ PARP15 Q460N3 3/20 0.49
▸ PARP10 Q53GL7 3/20 0.49
▸ MAOB P27338 6/20 0.49
▸ PTGES O14684 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PARP14 Q460N5 1/20 0.46

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
SCHEMBL8594920 0.81 MAPT (0.56) ALDH1A1MAPTGAAL3MBTL1MAOB
SCHEMBL29502955 0.81 MAPT (0.56) ALDH1A1MAPTGAAL3MBTL1SMN1; SMN2
SCHEMBL1061802 0.81 MAPT (0.56) ALDH1A1MAPTGAAL3MBTL1SMN1; SMN2
SCHEMBL21083437 0.80 MAOB (0.55) L3MBTL1PARP15PARP10MAOBSMN1; SMN2
Ammonia Solution, Strong SCHEMBL28855632 0.80 MAPT (0.55) ALDH1A1MAPTGAAL3MBTL1SMN1; SMN2
SCHEMBL1577994 0.78 MAPT (0.52) ALDH1A1MAPTGAAL3MBTL1MAOB
SCHEMBL31504334 0.77 MAOB (0.56) MAPTPARP15PARP10MAOBNPC1
SCHEMBL4337519 0.77 MAOB (0.56) MAPTPARP15PARP10MAOBNPC1
SCHEMBL30764792 0.77 HSPB1 (0.55) ALDH1A1MAPTL3MBTL1PARP10SMN1; SMN2
SCHEMBL15411721 0.77 MAPT (0.53) ALDH1A1MAPTGAAL3MBTL1SMN1; SMN2

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-0782570-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1997-07-09 — — EP disclosed
WO-1996009294-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-28 — — WO disclosed
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