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SCHEMBL1680165

SCHEMBL1680165

CC(C)(C)[Si](C)(C)Oc1ccc2cc(N(c3ccc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3)c3ccc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.55
▸ CA1 P00915 4/20 0.55
▸ CA9 Q16790 4/20 0.55
▸ PREP P48147 4/20 0.37
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NCF1 P14598 1/20 0.31

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
SCHEMBL12017833 0.80 CA1 (0.59) CA12CA1CA9PREPHSP90AA1
SCHEMBL30186537 0.79 CA12 (0.58) CA12CA1CA9PREPNPC1
SCHEMBL704912 0.79 CA12 (0.58) CA12CA1CA9PREPNPC1
SCHEMBL2523819 0.77 CA12 (0.56) CA12CA1CA9PREPNPC1
SCHEMBL6811874 0.77 CA12 (0.56) CA12CA1CA9PREPHSP90AA1
SCHEMBL7759839 0.77 CA12 (0.56) CA12CA1CA9PREPHSP90AA1
SCHEMBL6063289 0.77 CA12 (0.56) CA12CA1CA9PREPHSP90AA1
SCHEMBL12471590 0.77 CA12 (0.52) CA12CA1CA9PREPNPC1
SCHEMBL932807 0.77 CA1 (0.52) CA12CA1CA9PREPHSP90AA1
SCHEMBL29954502 0.77 CA1 (0.52) CA12CA1CA9PREPHSP90AA1

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-2011041529-A2 TRI-2-NAPHTHYLAMINES ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2011-04-07 — — WO disclosed