SCHEMBL2901450

SCHEMBL2901450

C[SiH](C)OC(CCC(C)(C)C)Oc1ccc(-c2cn3cc(I)ccc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.46
▸ ALDH1A3 P47895 4/20 0.40
▸ NPC1 O15118 7/20 0.39
▸ RAB9A P51151 7/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ PKM P14618 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MITF O75030 1/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ KDM5C P41229 1/20 0.36
▸ PAX8 Q06710 1/20 0.36

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
SCHEMBL2901452 0.78 NPC1 (0.47) APPALDH1A3NPC1RAB9AALDH1A1
SCHEMBL2905527 0.78 APP (0.43) APPALDH1A3NPC1RAB9AALDH1A1
SCHEMBL2901138 0.71 ALDH1A3 (0.75) APPALDH1A3NPC1RAB9AALDH1A1
SCHEMBL1727234 0.71 NPC1 (0.69) APPALDH1A3NPC1RAB9AALDH1A1
SCHEMBL2905529 0.70 APP (0.46) APPALDH1A3NPC1RAB9AALDH1A1
SCHEMBL15177306 0.69 APP (0.73) APPALDH1A3NPC1RAB9AALDH1A1
SCHEMBL2810030 0.69 APP (0.54) APPALDH1A3NPC1RAB9AALDH1A1
SCHEMBL24320031 0.68 NPC1 (0.74) APPALDH1A3NPC1RAB9AALDH1A1
SCHEMBL2900566 0.68 ALDH1A1 (0.40) APPALDH1A3NPC1RAB9AALDH1A1
SCHEMBL2905532 0.68 NPC1 (0.44) APPALDH1A3NPC1RAB9AALDH1A1

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-2216050-A1 UTILIZATION OF NOVEL COMPOUNDS WITH AMYLOID AFFINITY AND METHOD OF PRODUCING THE SAME Nihon Medi-Physics Co., Ltd. (JP) 2010-08-11 — — EP disclosed
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