SCHEMBL2229077

SCHEMBL2229077

CCCCc1nc(C)c(CC(=O)O)c(O)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.40
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8805901 0.92 ALDH1A1 (0.44) LMNAALDH1A1HPGDHSD17B10ATM
SCHEMBL28619888 0.88 POLB (0.45) LMNAPOLBHTTRXFP1ALDH1A1
SCHEMBL28628793 0.85 TSHR (0.53) LMNATSHR
SCHEMBL2227651 0.85 LMNA (0.39) LMNAPOLBHTTRXFP1ALDH1A1
SCHEMBL29703417 0.85 TSHR (0.53) LMNATSHR
SCHEMBL9843662 0.83 MAPT (0.37) LMNAPOLBHTTRXFP1ALDH1A1
SCHEMBL9843881 0.83 MAPT (0.37) LMNAPOLBHTTRXFP1ALDH1A1
SCHEMBL27477358 0.78 MAPT (0.38) LMNAPOLBHTTRXFP1ALDH1A1
SCHEMBL8805944 0.77 ALDH1A1 (0.43) LMNAPOLBHTTRXFP1ALDH1A1
SCHEMBL9253828 0.76 MAPK1 (0.44) LMNAALDH1A1HPGDHSD17B10ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102666496-A New preparation method of 2- (2-N-butyl-4-hydroxy-6-methyl-pyrimidin-5-yl) -N, N-dimethylacetamide BORYUNG PHARM 2012-09-12 CN claimed
WO-2011090323-A2 NOVEL PREPARATION METHOD OF 2-(2-N-BUTYL-4-HYDROXY-6-METHYL-PYRIMIDIN-5-YL)-N,N-DIMETHYLACETAMIDE BORYUNG PHARMACEUTICAL CO., LTD (KR) 2011-07-28 WO claimed
CN-106674206-B Co-crystal medicine for treating heart failure 顾国明 2021-01-19 CN disclosed
CN-104478811-B Fimasartan intermediate preparation method 浙江浙邦制药有限公司 2017-01-25 CN disclosed
CN-102666496-B Preparation method of 2- (2-N-butyl-4-hydroxy-6-methyl-pyrimidin-5-yl) -N, N-dimethylacetamide BORYUNG PHARM 2015-05-20 CN disclosed
CN-104610164-A New preparation of 2-(2-n-butyl-4-hydroxy-6-methyl-pyrimidine-5-yl)-n,n-dimethylacetamide BORYUNG PHARM 2015-05-13 CN disclosed
CN-104478811-A Fimasartan intermediate preparation method ZHEJIANG ZHEBANG PHARMACEUTICAL CO LTD 2015-04-01 CN disclosed
CN-102666496-A New preparation method of 2- (2-N-butyl-4-hydroxy-6-methyl-pyrimidin-5-yl) -N, N-dimethylacetamide BORYUNG PHARM 2012-09-12 CN disclosed
CN-102666496-A New preparation method of 2- (2-N-butyl-4-hydroxy-6-methyl-pyrimidin-5-yl) -N, N-dimethylacetamide BORYUNG PHARM 2012-09-12 CN disclosed
WO-2011090323-A3 NOVEL PREPARATION METHOD OF 2-(2-N-BUTYL-4-HYDROXY-6-METHYL-PYRIMIDIN-5-YL)-N,N-DIMETHYLACETAMIDE BORYUNG PHARMACEUTICAL CO., LTD (KR) 2011-11-10 WO disclosed
WO-2011090323-A2 NOVEL PREPARATION METHOD OF 2-(2-N-BUTYL-4-HYDROXY-6-METHYL-PYRIMIDIN-5-YL)-N,N-DIMETHYLACETAMIDE BORYUNG PHARMACEUTICAL CO., LTD (KR) 2011-07-28 WO disclosed
WO-2011090323-A2 NOVEL PREPARATION METHOD OF 2-(2-N-BUTYL-4-HYDROXY-6-METHYL-PYRIMIDIN-5-YL)-N,N-DIMETHYLACETAMIDE BORYUNG PHARMACEUTICAL CO., LTD (KR) 2011-07-28 WO disclosed
WO-2011090323-A2 NOVEL PREPARATION METHOD OF 2-(2-N-BUTYL-4-HYDROXY-6-METHYL-PYRIMIDIN-5-YL)-N,N-DIMETHYLACETAMIDE BORYUNG PHARMACEUTICAL CO., LTD (KR) 2011-07-28 WO disclosed