SCHEMBL6944697

SCHEMBL6944697

CCCCN1CN(C)c2c1n(C)c(=O)[nH]c2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ MAPK1 P28482 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ HSD17B10 Q99714 3/20 0.34
▸ GFER P55789 1/20 0.34
▸ HPGD P15428 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34

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
SCHEMBL5085666 0.94 MAPK10 (0.44) MAPTMAPK10MAPK1SMN1; SMN2NPSR1
SCHEMBL6421931 0.91 KDM1A (0.39) MAPTMAPK10MAPK1SMN1; SMN2EPHX2
SCHEMBL8803670 0.87 TK1 (0.43) MAPTMAPK10MAPK1SMN1; SMN2NPSR1
SCHEMBL9392011 0.86 KMT2A (0.38) MAPTMAPK10MAPK1SMN1; SMN2NPSR1
SCHEMBL8952206 0.86 EPHX2 (0.32) MAPTMAPK1EPHX2ALDH1A1HSD17B10
SCHEMBL6948264 0.86 EPHX2 (0.37) MAPTMAPK10SMN1; SMN2EPHX2ALDH1A1
SCHEMBL8802577 0.85 MAPK10 (0.38) MAPTMAPK10MAPK1SMN1; SMN2NPSR1
SCHEMBL8952262 0.85 MAPK1 (0.34) MAPK1EPHX2KDM4EALDH1A1HSD17B10
SCHEMBL8952545 0.84 EPHX2 (0.33) MAPK10MAPK1EPHX2ALDH1A1MEN1
SCHEMBL8952620 0.84 KDM4E (0.36) MAPTMAPK10MAPK1EPHX2KDM4E

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-2002026055-A2 BEVERAGE COMPOSITIONS COMPRISING ARABINOGALACTAN AND DEFINED VITAMINS THE PROCTER & GAMBLE COMPANY (US) 2002-04-04 — — WO disclosed
WO-2002026053-A2 BEVERAGE COMPOSITIONS COMPRISING ARABINOGALACTAN AND MINERAL SUPPLEMENT 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
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