SCHEMBL6948261

SCHEMBL6948261

CCc1nc2c(c(=O)[nH]c(=O)n2C)n1C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.55
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HPGD P15428 5/20 0.54
CYP2C9 P11712 1/20 0.54
ALDH1A1 P00352 7/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPK1 P28482 6/20 0.50
KDM4E B2RXH2 2/20 0.49
CYP3A4 P08684 1/20 0.47
PMP22 Q01453 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL315739 0.87 HSD17B10 (0.56) HSD17B10GAAL3MBTL1HPGDCYP2C9
SCHEMBL515834 0.85 KDM4E (0.54) HSD17B10GAAL3MBTL1HPGDCYP2C9
SCHEMBL515910 0.85 GAA (0.53) HSD17B10GAAL3MBTL1HPGDCYP2C9
SCHEMBL6944694 0.84 SMN1; SMN2 (0.56) HSD17B10GAAL3MBTL1HPGDCYP2C9
SCHEMBL3227594 0.84 PDE4A (0.55) HSD17B10HPGDCYP2C9ALDH1A1SMN1; SMN2
SCHEMBL11293663 0.82 L3MBTL1 (0.57) HSD17B10GAAL3MBTL1HPGDCYP2C9
SCHEMBL19013585 0.82 KDM4E (0.55) HSD17B10GAAL3MBTL1HPGDCYP2C9
SCHEMBL5085665 0.82 MAPK1 (0.56) HSD17B10GAAL3MBTL1HPGDCYP2C9
SCHEMBL8952332 0.81 ALDH1A1 (0.52) HSD17B10GAAL3MBTL1HPGDALDH1A1
SCHEMBL788784 0.81 ALDH1A1 (0.50) HSD17B10GAAL3MBTL1HPGDCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322184-A2 BEVERAGE COMPOSITIONS COMPRISING ARABINOGALACTAN AND DEFINED VITAMINS THE PROCTER & GAMBLE COMPANY (US) 2003-07-02 EP disclosed
EP-1322185-A2 BEVERAGE COMPOSITIONS COMPRISING ARABINOGALACTAN AND MINERAL SUPPLEMENT THE PROCTER & GAMBLE COMPANY (US) 2003-07-02 EP disclosed
EP-1289532-A2 LOW CARBOHYDRATE COMPOSITIONS, KITS THEREOF, AND METHODS OF USE The Procter & Gamble Company (US) 2003-03-12 EP disclosed
EP-1196050-A1 COMPOSITIONS, KITS, AND METHODS FOR PROVIDING AND MAINTAINING ENERGY AND MENTAL ALERTNESS THE PROCTER & GAMBLE COMPANY (US) 2002-04-17 EP disclosed
WO-2002026053-A2 BEVERAGE COMPOSITIONS COMPRISING ARABINOGALACTAN AND MINERAL SUPPLEMENT THE PROCTER & GAMBLE COMPANY (US) 2002-04-04 WO disclosed
WO-2002026055-A2 BEVERAGE COMPOSITIONS COMPRISING ARABINOGALACTAN AND DEFINED VITAMINS THE PROCTER & GAMBLE COMPANY (US) 2002-04-04 WO disclosed
WO-2001093831-A2 LOW CARBOHYDRATE COMPOSITIONS, KITS THEREOF, AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001005253-A1 COMPOSITIONS, KITS, AND METHODS FOR PROVIDING AND MAINTAINING ENERGY AND MENTAL ALERTNESS THE PROCTER & GAMBLE COMPANY (US) 2001-01-25 WO disclosed