SCHEMBL3279730

SCHEMBL3279730

CN(C)C(=O)c1ccccc1C(=O)N(O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KEAP1 Q14145 1/20 0.50
TP53 P04637 2/20 0.45
ALDH1A1 P00352 6/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 2/20 0.40
CXCR2 P25025 1/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
ALOX15 P16050 1/20 0.39
MASP2 O00187 1/20 0.38

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
SCHEMBL188296 0.91 MEN1 (0.65) KMT2AMEN1SMN1; SMN2KEAP1TP53
SCHEMBL14164778 0.82 MEN1 (0.57) KMT2AMEN1SMN1; SMN2KEAP1TP53
SCHEMBL1018643 0.82 ALDH1A1 (0.64) KMT2AMEN1SMN1; SMN2KEAP1TP53
SCHEMBL7742171 0.80 MEN1 (0.55) KMT2AMEN1SMN1; SMN2KEAP1TP53
SCHEMBL29851101 0.80 SMN1; SMN2 (0.55) KMT2AMEN1SMN1; SMN2KEAP1TP53
SCHEMBL2116862 0.80 SMN1; SMN2 (0.55) KMT2AMEN1SMN1; SMN2KEAP1TP53
SCHEMBL610579 0.78 MEN1 (0.53) KMT2AMEN1SMN1; SMN2KEAP1TP53
SCHEMBL3280428 0.78 TP53 (0.50) KMT2AMEN1SMN1; SMN2KEAP1TP53
SCHEMBL2646528 0.77 MEN1 (0.57) KMT2AMEN1SMN1; SMN2KEAP1TP53
SCHEMBL354228 0.77 KMT2A (0.59) KMT2AMEN1SMN1; SMN2KEAP1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700196-B2 Method for producing carbonyl group-containing organosilicon compounds WACKER CHEMIE AG (DE) 2010-04-20 US disclosed
EP-1685183-B1 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2008-01-16 EP disclosed
US-20070129520-A1 High yield of 2-formylethyldimethylsilanol-modified polydimethylsiloxane obtained by the continuous process of oxidizing 3-hydroxypropyldimethylsilanol-modified corresponding polymer using Tempoas an oxidation catalyst and air or oxygen as oxidizer in an aqueous dispersion; industrial scale; low cost WACKER CHEMIE AG (DE) 2007-06-07 US disclosed