SCHEMBL21496091

SCHEMBL21496091

C[Si](C)(C)OCNc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LTA4H P09960 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KCNH3 Q9ULD8 1/20 0.36
HTT P42858 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL1069533 0.82 MAPT (0.40) MAPTALDH1A1MAOAMAOBL3MBTL1
SCHEMBL4616628 0.82 MAPT (0.40) MAPTALDH1A1MAOAMAOBL3MBTL1
SCHEMBL2204713 0.80 MAPT (0.38) MAPTALDH1A1MAOAMAOBL3MBTL1
SCHEMBL814026 0.79 KCNH3 (0.41) MAPTALDH1A1MAOAMAOBL3MBTL1
SCHEMBL27678660 0.78 NPSR1 (0.39) MAPTALDH1A1MAOAMAOBL3MBTL1
SCHEMBL571735 0.78 MAPT (0.40) MAPTALDH1A1MAOAMAOBL3MBTL1
SCHEMBL2204709 0.77 MAPT (0.37) MAPTALDH1A1MAOAMAOBTSHR
SCHEMBL28089433 0.75 MAPT (0.38) MAPTALDH1A1MAOAMAOBL3MBTL1
SCHEMBL2721214 0.75 MAPT (0.52) MAPTALDH1A1L3MBTL1TSHRMEN1
SCHEMBL29200269 0.74 ALDH1A1 (0.52) MAPTALDH1A1MAOAMAOBL3MBTL1

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-2019202796-A1 POLYMER HAVING REACTIVE SILICON-CONTAINING GROUP AND PRODUCTION METHOD THEREFOR 信越化学工業株式会社 2019-10-24 WO disclosed