SCHEMBL2905529

SCHEMBL2905529

CC(Oc1ccc(-c2cn3cc(I)ccc3n2)cc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.46
▸ ALDH1A3 P47895 9/20 0.45
▸ NPC1 O15118 6/20 0.41
▸ RAB9A P51151 6/20 0.41
▸ PKM P14618 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ ALDH1A2 O94788 1/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL2900569 0.89 ALDH1A1 (0.42) APPALDH1A3NPC1RAB9APKM
SCHEMBL1727420 0.80 NPC1 (0.50) APPALDH1A3NPC1RAB9APKM
SCHEMBL6491308 0.72 ALDH1A3 (0.69) APPALDH1A3NPC1RAB9APKM
SCHEMBL2905527 0.72 APP (0.43) APPALDH1A3NPC1RAB9APKM
SCHEMBL1727274 0.72 ALDH1A3 (0.41) APPALDH1A3NPC1RAB9APKM
SCHEMBL2901138 0.71 ALDH1A3 (0.75) APPALDH1A3NPC1RAB9APKM
SCHEMBL2901450 0.70 APP (0.46) APPALDH1A3NPC1RAB9APKM
SCHEMBL15177306 0.69 APP (0.73) APPALDH1A3NPC1RAB9APKM
SCHEMBL2431791 0.69 APP (0.62) APPALDH1A3NPC1RAB9APKM
SCHEMBL2810030 0.69 APP (0.54) APPALDH1A3NPC1RAB9APKM

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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