SCHEMBL27812907

SCHEMBL27812907

Nc1nc2ncc(CNC3C=CC(C(=O)NC(CCC(=O)O)C(=O)O)CC3)nc2c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 4/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ AKR1B1 P15121 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ PTGS2 P35354 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ ADORA3 P0DMS8 1/20 0.54
▸ DHFR P00374 7/20 0.46
▸ GART P22102 6/20 0.46
▸ ATIC P31939 5/20 0.46
▸ NOS1 P29475 2/20 0.42
▸ SHMT1 P34896 1/20 0.41
▸ SHMT2 P34897 1/20 0.41

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
SCHEMBL30447066 0.92 AKR1B1 (0.53) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL27519163 0.90 AKR1B1 (0.51) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL30350193 0.90 AKR1B1 (0.51) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL28205287 0.88 AKR1B1 (0.48) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL30584152 0.87 AKR1B1 (0.47) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL27925894 0.87 AKR1B1 (0.47) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL27529220 0.87 AKR1B1 (0.47) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL27925895 0.87 AKR1B1 (0.46) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL27983477 0.84 AKR1B1 (0.49) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL27666711 0.83 TYMS (0.53) TYMSKDM4EMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109182352-A A kind of Senescence of Rice controlling gene, protein and application 杭州师范大学 2019-01-11 — — CN claimed
CN-108976232-A A kind of synthetic method of Calcium leucovorin 江苏红豆杉药业有限公司 2018-12-11 — — CN claimed
CN-110225755-A Combination of BRD4 inhibitors and antifolates for treatment of cancer 分子医学研究中心责任有限公司 2019-09-10 — — CN disclosed
CN-109549948-A The application of root bark of tree peony polysaccharide, the toothpaste containing root bark of tree peony polysaccharide and preparation method thereof 河北神顺健康科技有限公司 2019-04-02 — — CN disclosed
CN-109456330-A Folic acid class stable compound and preparation method thereof 连云港德洋化工有限公司 2019-03-12 — — CN disclosed
CN-109105645-A A kind of monkey grain and preparation method thereof 江苏省协同医药生物工程有限责任公司 2019-01-01 — — CN disclosed
CN-103087971-B Increase methionine yield 代谢探索者公司 2016-12-28 — — CN disclosed
CN-104114174-A Anti-tumor activity of reduced folates like methylene-tetrahydrofolate ISOFOL MEDICAL AB 2014-10-22 — — CN disclosed
CN-104114173-A Combinations of tetrahydrofolate and EGFR inhibitors ISOFOL MEDICAL AB 2014-10-22 — — CN disclosed
CN-101821401-B Increasing methionine yield METABOLIC EXPLORER SA 2013-10-30 — — CN disclosed
CN-103087971-A Increasing methionine yield METABOLIC EXPLORER SA 2013-05-08 — — CN disclosed
CN-101821401-A Increasing methionine yield METABOLIC EXPLORER SA 2010-09-01 — — CN disclosed
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