SCHEMBL5239876

SCHEMBL5239876

[CH2]c1ccc(O[Si](C)(C)C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA9 Q16790 4/20 0.43
PREP P48147 3/20 0.39
ALDH1A1 P00352 5/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 4/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL229029 0.84 CA12 (0.44) CA12CA1CA9PREPALDH1A1
SCHEMBL5235060 0.84 ALDH1A1 (0.46) CA12CA1CA9PREPALDH1A1
SCHEMBL21603046 0.82 MAPK1 (0.46) CA12CA1CA9PREPALDH1A1
SCHEMBL27087776 0.82 LMNA (0.47) CA12CA1CA9ALDH1A1MAPK1
SCHEMBL5228156 0.82 TSHR (0.49) CA12CA1CA9ALDH1A1HTT
SCHEMBL5367354 0.81 AAK1 (0.46) CA12CA1CA9PREPALDH1A1
SCHEMBL5235837 0.80 CA12 (0.42) CA12CA1CA9PREPALDH1A1
SCHEMBL2105999 0.79 MAPT (0.56) CA12CA1CA9PREPALDH1A1
SCHEMBL16069602 0.79 ATM (0.47) CA12CA1CA9PREPALDH1A1
SCHEMBL12422253 0.79 MAPK1 (0.47) CA12CA1CA9PREPALDH1A1

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
EP-1507776-B1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC (US) 2007-02-28 EP disclosed