SCHEMBL6889649

SCHEMBL6889649

Cn1c(=O)[nH]c(=O)c2[nH]c(-c3ccccc3)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.69
ADORA2A P29274 5/20 0.69
KDM4E B2RXH2 4/20 0.65
HSD17B10 Q99714 4/20 0.65
CYP1A2 P05177 3/20 0.65
NPSR1 Q6W5P4 2/20 0.65
ADORA1 P30542 2/20 0.65
ADORA3 P0DMS8 1/20 0.65
BLM P54132 1/20 0.65
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GLA P06280 1/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
TSHR P16473 2/20 0.56
MAPK1 P28482 2/20 0.56
TP53 P04637 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56

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
SCHEMBL9765885 0.82 ADORA2B (1.00) ADORA2BADORA2AKDM4EHSD17B10CYP1A2
SCHEMBL1944674 0.80 ADORA2B (0.74) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1497239 0.79 ALDH1A1 (0.49) ADORA2BADORA2AKDM4EHSD17B10CYP1A2
8-Phenyl Theophylline SCHEMBL516432 0.79 ADORA2A (1.00) ADORA2BADORA2AKDM4EHSD17B10CYP1A2
SCHEMBL7058942 0.77 ADORA2B (0.56) ADORA2BADORA2AKDM4EHSD17B10CYP1A2
SCHEMBL515920 0.76 ADORA2B (1.00) ADORA2BADORA2AKDM4EHSD17B10CYP1A2
SCHEMBL20656214 0.74 KDM4E (0.53) ADORA2BADORA2AKDM4EHSD17B10CYP1A2
SCHEMBL7057695 0.74 KDM4E (0.62) ADORA2BADORA2AKDM4EHSD17B10NPSR1
SCHEMBL18990066 0.73 KMT2A (0.51) KDM4EHSD17B10NPSR1KMT2AALDH1A1
SCHEMBL13977442 0.73 ADORA2B (0.61) ADORA2BADORA2AKDM4EHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372411-A1 LOW GLYCEMIC RESPONSE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2004-01-02 EP disclosed
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-1289510-A2 COMPOSITIONS, KITS, AND METHODS FOR PROMOTING DEFINED HEALTH BENEFITS THE PROCTER & GAMBLE COMPANY (US) 2003-03-12 EP disclosed
WO-2002078469-A1 LOW GLYCEMIC RESPONSE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2002-10-10 WO disclosed
WO-2002052959-A2 BEVERAGE COMPOSITIONS COMPRISING PALATABLE CALCIUM AND MAGNESIUM SOURCES THE PROCTER & GAMBLE COMPANY (US) 2002-07-11 WO 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-2001093847-A2 COMPOSITIONS, KITS, AND METHODS FOR PROMOTING DEFINED HEALTH BENEFITS THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed