SCHEMBL6065018

SCHEMBL6065018

CNc1ccccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 4/20 0.51
GAA P10253 1/20 0.50
GGH Q92820 1/20 0.48
PYGL P06737 1/20 0.47
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
FOLH1 Q04609 2/20 0.46
RIMKLA Q8IXN7 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CCKAR P32238 3/20 0.45
CCKBR P32239 3/20 0.45

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
SCHEMBL27565835 1.00 NAALAD2 (0.51) NAALAD2GAAGGHPYGLCA2
SCHEMBL300104 0.84 KDM4E (0.46) CA2CA1HSD17B10CCKARCCKBR
SCHEMBL29732414 0.83 PYGL (0.54) NAALAD2GAAGGHPYGLCA2
SCHEMBL14606037 0.83 PYGL (0.54) NAALAD2GAAGGHPYGLCA2
SCHEMBL9615846 0.83 PYGL (0.54) NAALAD2GAAGGHPYGLCA2
SCHEMBL3459202 0.83 PYGL (0.50) PYGLFOLH1CCKARCCKBR
SCHEMBL30615312 0.82 NAALAD2 (0.56) NAALAD2GAAGGHCA2CA1
SCHEMBL29772335 0.82 NAALAD2 (0.56) NAALAD2GAAGGHCA2CA1
SCHEMBL4775100 0.82 NAALAD2 (0.56) NAALAD2GAAGGHCA2CA1
SCHEMBL30615313 0.82 NAALAD2 (0.56) NAALAD2GAAGGHCA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102399224-B Preparation method of low-iron methotrexate HUZHOU ZHANWANG PHARMACEUTICAL CO LTD 2013-10-02 CN claimed
CN-102399224-B Preparation method of low-iron methotrexate HUZHOU ZHANWANG PHARMACEUTICAL CO LTD 2013-10-02 CN disclosed
CN-102399224-A Preparation method of low-iron methotrexate HUZHOU ZHANWANG PHARMACEUTICAL CO LTD 2012-04-04 CN disclosed
CN-1283641-C Pteridine derivatives with nitric oxide synthase inhibitor function UNIV CHINA PHARMA (CN) 2006-11-08 CN disclosed
WO-2006074416-A1 5-AMINO-4-IMIDAZOLECARBOXAMIDE RIBOSIDE AND ITS NUCLEOBASE AS POTENTIATORS OF ANTIFOLATE TRANSPORT AND METABOLISM HEALTH RESEARCH INC. (US) 2006-07-13 WO disclosed
CN-1546491-A Pteridine derivatives with nitric oxide synthase inhibitor function 中国药科大学 2004-11-17 CN disclosed