SCHEMBL10692014

SCHEMBL10692014

CC(=O)CC(=O)Nc1c(C)cccc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
KMT2A Q03164 4/20 0.64
SCN3A Q9NY46 3/20 0.64
MEN1 O00255 3/20 0.64
CYP2C9 P11712 3/20 0.64
CYP1A2 P05177 2/20 0.64
SCN1A P35498 2/20 0.64
SCN2A Q99250 2/20 0.64
ALOX15 P16050 1/20 0.64
CYP2C19 P33261 2/20 0.62
NFKB1 P19838 1/20 0.62
LMNA P02545 4/20 0.62
BLM P54132 2/20 0.62
ALDH1A1 P00352 3/20 0.59
CYP3A4 P08684 2/20 0.59
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59

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
SCHEMBL10691650 0.88 POLB (0.61) MAPTKMT2ASCN3AMEN1CYP2C9
SCHEMBL10691487 0.88 PDK1 (0.52) MAPTKMT2ASCN3AMEN1CYP2C9
SCHEMBL9754179 0.84 MEN1 (0.62) MAPTKMT2ASCN3AMEN1CYP2C9
Glycinexylidide SCHEMBL4107220 0.84 LMNA (0.65) MAPTKMT2ASCN3AMEN1CYP2C9
SCHEMBL10567645 0.82 MAPT (0.66) MAPTKMT2ASCN3AMEN1CYP2C9
SCHEMBL5892506 0.82 KMT2A (0.65) MAPTKMT2ASCN3AMEN1CYP2C9
SCHEMBL30300553 0.80 MEN1 (0.62) MAPTKMT2ASCN3AMEN1CYP2C9
SCHEMBL10876664 0.80 S1PR4 (0.47) MAPTKMT2ASCN3AMEN1CYP2C9
SCHEMBL11779321 0.80 KMT2A (0.62) MAPTKMT2ASCN3AMEN1CYP2C9
SCHEMBL5803890 0.80 KMT2A (0.62) MAPTKMT2ASCN3AMEN1CYP2C9

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
CN-100381503-C Azo pigment formulations for packaging gravure and flexographic printing CLARIANT GMBH (DE) 2008-04-16 CN disclosed
CN-1867639-A Azo pigment formulations for packaging gravure and flexographic printing CLARIANT GMBH (DE) 2006-11-22 CN disclosed
US-4730061-A PLANT GROWTH REGULATORS DAICEL CHEMICAL INDUSTRIES LTD. (JP) 1988-03-08 US disclosed