SCHEMBL13460534

SCHEMBL13460534

CCOc1cccc([C@@](O)(CC)CN=[N+]=[N-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPK1 P28482 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALOX5 P09917 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ LTA4H P09960 1/20 0.34
▸ ACSS2 Q9NR19 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ NQO1 P15559 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL13460532 0.89 L3MBTL1 (0.39) CYP3A4L3MBTL1LMNAALOX5ALDH1A1
SCHEMBL13460717 0.88 DUT (0.42) LMNAALOX5MAPT
SCHEMBL13460569 0.87 DUT (0.45) —
SCHEMBL13460642 0.87 DUT (0.43) L3MBTL1ALOX5
SCHEMBL13460390 0.87 DUT (0.45) —
SCHEMBL13460545 0.87 DUT (0.45) —
SCHEMBL13460396 0.86 DUT (0.42) L3MBTL1ALOX5PKM
SCHEMBL13460531 0.85 DUT (0.44) —
SCHEMBL13460388 0.83 GPBAR1 (0.34) ALOX5ALDH1A1GAA
SCHEMBL13460395 0.83 GPBAR1 (0.34) ALOX5ALDH1A1GAA

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-2010023946-A1 NOVEL URACIL COMPOUND HAVING NITROGENATED HETEROCYCLIC RING OR SALT THEREOF 大鵬薬品工業株式会社 (JP) 2010-03-04 — — WO disclosed
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