SCHEMBL8700877

SCHEMBL8700877

Cc1ccc(C(N)=O)c(O[SiH](C)C)c1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
NNMT P40261 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL7517437 0.84 CA1 (0.36)
SCHEMBL8697120 0.80
SCHEMBL7539413 0.72 ALDH1A1 (0.32)
SCHEMBL8698217 0.72 MAPT (0.42)
SCHEMBL27627276 0.70 L3MBTL1 (0.44) L3MBTL1NNMTSIRT3TDP1
SCHEMBL9487223 0.70 KDM4E (0.35) L3MBTL1TDP1
SCHEMBL4339765 0.70 ALDH1A1 (0.36) L3MBTL1TDP1
SCHEMBL8696273 0.70 MAOB (0.41)
SCHEMBL7520417 0.69 TDP1 (0.46) TDP1
SCHEMBL22023652 0.68 PARP1 (0.42) L3MBTL1SIRT3TDP1

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-5831073-A Ion triggered alkylation of biological targets by silyloxy aromatic agents THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-11-03 US disclosed
US-5493012-A Ion triggered alkylation of biological targets by silyloxy aromatic agents THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-02-20 US disclosed