SCHEMBL28344203

SCHEMBL28344203

NCN(Cc1cnc2[nH]c(N)nc(=O)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 10/20 0.61
TYMS P04818 4/20 0.55
GART P22102 3/20 0.55
ATIC P31939 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 2/20 0.55
HPGD P15428 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
GAA P10253 1/20 0.55
AKR1B1 P15121 1/20 0.55
TSHR P16473 1/20 0.55
PTGS2 P35354 1/20 0.55
TLR4 O00206 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
GLA P06280 1/20 0.55

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
SCHEMBL29003723 0.99 DHFR (0.60) DHFRTYMSGARTATICKDM4E
SCHEMBL8768814 0.93 DHFR (0.61) DHFRTYMSGARTATICKDM4E
SCHEMBL5427457 0.91 DHFR (0.59) DHFRTYMSGARTATICKDM4E
SCHEMBL28273767 0.91 DHFR (0.59) DHFRTYMSGARTATICKDM4E
SCHEMBL3846647 0.91 DHFR (0.61) DHFRTYMSGARTATICKDM4E
SCHEMBL338037 0.91 DHFR (0.57) DHFRTYMSGARTATICKDM4E
SCHEMBL1250396 0.90 DHFR (0.62) DHFRTYMSGARTATICKDM4E
SCHEMBL25167471 0.90 DHFR (0.57) DHFRTYMSGARTATICKDM4E
SCHEMBL20486467 0.90 DHFR (0.57) DHFRTYMSGARTATICKDM4E
SCHEMBL869876 0.90 DHFR (0.57) DHFRTYMSGARTATICKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116162704-A System for leukemia diagnosis and treatment 杭州赫玛生物科技有限公司 2023-05-26 CN claimed
CN-108883069-B Esterification/saponification based process for micro-lipid loading 中央研究院 2021-07-20 CN claimed
CN-116754756-A Methotrexate detection kit 北京九强生物技术股份有限公司 2023-09-15 CN disclosed
CN-111487208-B Glucose 6-phosphate dehydrogenase mutant and application thereof in preparation of methotrexate detection reagent 北京九强生物技术股份有限公司 2023-07-14 CN disclosed
CN-116381253-A Method for preparing conjugate 北京九强生物技术股份有限公司 2023-07-04 CN disclosed
CN-116298330-A Use of conjugates in the preparation of detection reagents 北京九强生物技术股份有限公司 2023-06-23 CN disclosed
CN-115698321-A Methods for plasma free RNA analysis 格里尔公司 2023-02-03 CN disclosed
CN-115003317-A Method of treating atopic dermatitis 伊奇罗夫科技有限公司 2022-09-02 CN disclosed
CN-106573074-B Bioactive molecule conjugates, reagents and methods of preparation and therapeutic uses thereof 里珍纳龙药品有限公司 2022-04-12 CN disclosed
CN-109419814-B Application of paradisella gordonii to inhibition of fatty liver disease 长庚生物科技股份有限公司 2021-09-28 CN disclosed
CN-107921047-B Novel use of arylquinoline derivatives as angiogenesis mimicry inhibitors 台睿生物科技股份有限公司 2021-06-01 CN disclosed
CN-112755193-A Method of treating malignancies with anti-tyrosine kinase inhibitors using dianhydrogalactitol or a derivative thereof 德玛医药 2021-05-07 CN disclosed
CN-106164293-B Aptamer constructs 迪肯大学 2020-03-27 CN disclosed
CN-110711188-A Use of substituted hexitols for the treatment of malignant tumors 德玛公司 2020-01-21 CN disclosed