SCHEMBL4536052

SCHEMBL4536052

CC[Si](O)(O)CNc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 1/20 0.41
IDO1 P14902 1/20 0.41
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
ADRA2A P08913 1/20 0.36
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 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
SCHEMBL22911703 0.78 MAPT (0.44) MAPTALDH1A1IDO1MAOAMAOB
SCHEMBL28435110 0.78 MAPT (0.44) MAPTALDH1A1MAOAMAOBL3MBTL1
SCHEMBL4536271 0.78 ALDH1A1 (0.48) MAPTALDH1A1IDO1MAOAMAOB
SCHEMBL22911739 0.73 MAPT (0.44) MAPTALDH1A1MAOAMAOBNPC1
SCHEMBL268348 0.73 ALDH1A1 (0.48) MAPTALDH1A1MAOAMAOBL3MBTL1
SCHEMBL6244058 0.71 MAPT (0.41) MAPTALDH1A1IDO1MAOAMAOB
SCHEMBL825906 0.71 NPSR1 (0.38) MAPTALDH1A1MAOAMAOBL3MBTL1
Methyl Alcohol SCHEMBL5316416 0.70 LMNA (0.57) MAPTALDH1A1IDO1MAOAMAOB
SCHEMBL28202271 0.69 MAPT (0.40) MAPTALDH1A1MAOAMAOBL3MBTL1
SCHEMBL159578 0.69 MAPT (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507480-B2 Corrosion-resistant metal surfaces BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2009-03-24 US disclosed
US-20060269760-A1 Corrosion-resistant metal surfaces ENERGY, UNITED STATES DEPARTMENT OF 2006-11-30 US disclosed