SCHEMBL9917546

SCHEMBL9917546

CC(=O)N1/C(=C2\C(=O)c3ccccc3N2C(C)=O)C(=O)c2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.76
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NOTUM Q6P988 2/20 0.50
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
CASP1 P29466 1/20 0.49
BRCA1 P38398 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.48
NOX1 Q9Y5S8 1/20 0.48
TTR P02766 1/20 0.47
HSD17B10 Q99714 1/20 0.45
CTRB1 P17538 1/20 0.44
BCHE P06276 1/20 0.41
TGM2 P21980 1/20 0.41

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
SCHEMBL19747937 1.00 CES1 (0.76) CES1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL9917537 1.00 CES1 (0.76) CES1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL30070852 0.86 CES1 (1.00) CES1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL4989864 0.86 CES1 (1.00) CES1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL25707062 0.83 CES1 (0.69) CES1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL21282125 0.82 CES1 (0.53) CES1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL19748469 0.82 CES1 (0.53) CES1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL19747671 0.82 CES1 (0.53) CES1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL15959923 0.82 CES1 (0.67) CES1ALDH1A1MAPTSMN1; SMN2MAPK1
Nitrogen SCHEMBL27935041 0.82 CES1 (0.90) CES1ALDH1A1MAPTSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230193038-A1 METHODS OF DIGITAL PRINTING USING MODIFIED INDIGO COMPOUNDS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2023-06-22 US disclosed
US-10655273-B2 Dyed fibers and methods of dyeing using N,N′-diacetyl indigo Stony Creek Colors, Inc. (US) 2020-05-19 US disclosed
US-8932383-B2 Compositions and methods of making and using the compositions for improving soil and/or plant growth and improved soil, improved plants, and/or improved seeds ZHANG JIANMIN (CN) 2015-01-13 US disclosed
US-8932383-B2 Compositions and methods of making and using the compositions for improving soil and/or plant growth and improved soil, improved plants, and/or improved seeds ZHANG JIANMIN (CN) 2015-01-13 US disclosed
US-20120144888-A1 COMPOSITIONS AND METHODS OF MAKING AND USING THE COMPOSITIONS FOR IMPROVING SOIL AND/OR PLANT GROWTH AND IMPROVED SOIL, IMPROVED PLANTS, AND/OR IMPROVED SEEDS ZHANG JIANMIN (CN) 2012-06-14 US disclosed
US-20120144888-A1 COMPOSITIONS AND METHODS OF MAKING AND USING THE COMPOSITIONS FOR IMPROVING SOIL AND/OR PLANT GROWTH AND IMPROVED SOIL, IMPROVED PLANTS, AND/OR IMPROVED SEEDS ZHANG JIANMIN (CN) 2012-06-14 US disclosed