SCHEMBL6944694

SCHEMBL6944694

CCCCc1nc2c(c(=O)[nH]c(=O)n2C)n1C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
HSD17B10 Q99714 5/20 0.53
MAPK1 P28482 5/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 3/20 0.52
CYP2C9 P11712 1/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
HTT P42858 2/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GFER P55789 1/20 0.51
XBP1 P17861 1/20 0.51
USP2 O75604 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL5085665 0.94 MAPK1 (0.56) SMN1; SMN2HSD17B10MAPK1NPSR1L3MBTL1
SCHEMBL315739 0.91 HSD17B10 (0.56) SMN1; SMN2HSD17B10MAPK1NPSR1L3MBTL1
SCHEMBL8803669 0.88 MAPK1 (0.51) SMN1; SMN2HSD17B10MAPK1NPSR1L3MBTL1
SCHEMBL8459209 0.87 GAA (0.48) SMN1; SMN2HSD17B10MAPK1NPSR1L3MBTL1
SCHEMBL11290176 0.87 KDM4E (0.59) SMN1; SMN2HSD17B10MAPK1NPSR1L3MBTL1
SCHEMBL9392009 0.86 SMN1; SMN2 (0.53) SMN1; SMN2HSD17B10MAPK1NPSR1L3MBTL1
SCHEMBL9041281 0.86 SMN1; SMN2 (0.50) SMN1; SMN2HSD17B10MAPK1NPSR1L3MBTL1
SCHEMBL8952280 0.85 MAPK1 (0.48) SMN1; SMN2HSD17B10MAPK1NPSR1L3MBTL1
SCHEMBL8802573 0.85 MAPK1 (0.51) SMN1; SMN2HSD17B10MAPK1NPSR1L3MBTL1
SCHEMBL8952544 0.84 GAA (0.49) SMN1; SMN2HSD17B10MAPK1NPSR1L3MBTL1

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