SCHEMBL4522874

SCHEMBL4522874

CNCC[Si](O)(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.43
ATM Q13315 1/20 0.43
HTR2A P28223 2/20 0.41
HRH1 P35367 2/20 0.41
HTR1B P28222 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR1D P28221 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL272865 0.76 ESR1 (0.37) ATMMEN1KMT2ALMNAALDH1A1
SCHEMBL4530300 0.73 HTT (0.40) MEN1KMT2ASIGMAR1HRH3ALDH1A1
SCHEMBL272398 0.72 PCSK9 (0.39) ALDH1A1
SCHEMBL272887 0.70 ESR1 (0.39) ATMLMNAALDH1A1MAPTESR1
SCHEMBL5805498 0.70 TDP1 (0.52) TAAR1HTR2AALDH1A1ALOX15TDP1
SCHEMBL28743025 0.69 NAAA (0.43) ALDH1A1
SCHEMBL4533823 0.68 MAOA (0.40) TAAR1HTR2AHRH1
SCHEMBL6841739 0.68 ALDH1A1 (0.32) ALDH1A1KDM4EMAPTESR1ESR2
SCHEMBL10225882 0.67 L3MBTL1 (0.41) TAAR1ATMHTR2AHRH1HTR1B
SCHEMBL10614986 0.67 NR1H2 (0.38) ALDH1A1KDM4EESR1ESR2

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