SCHEMBL29430165

SCHEMBL29430165

Nc1nc(N)c2nc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 13/20 1.00
FOLR1 P15328 2/20 0.72
SLC19A1 P41440 2/20 0.72
SLC46A1 Q96NT5 2/20 0.72
KDM4E B2RXH2 1/20 0.72
TLR4 O00206 1/20 0.72
MEN1 O00255 1/20 0.72
ALDH1A1 P00352 1/20 0.72
LMNA P02545 1/20 0.72
TP53 P04637 1/20 0.72
TYMS P04818 1/20 0.72
GLA P06280 1/20 0.72
POLB P06746 1/20 0.72
HMGB1 P09429 1/20 0.72
MAPT P10636 1/20 0.72
FOLR2 P14207 1/20 0.72
HPGD P15428 1/20 0.72
ALOX15 P16050 1/20 0.72
ALOX12 P18054 1/20 0.72
GART P22102 1/20 0.72

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
SCHEMBL15700766 1.00 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
SCHEMBL7081697 1.00 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
SCHEMBL15530110 0.95 DHFR (0.90) DHFRFOLR1SLC19A1SLC46A1KDM4E
SCHEMBL25725292 0.90 DHFR (0.82) DHFRFOLR1SLC19A1SLC46A1KDM4E
SCHEMBL15559160 0.90 DHFR (0.81) DHFRFOLR1SLC19A1SLC46A1KDM4E
SCHEMBL1021371 0.88 DHFR (0.79) DHFRFOLR1SLC19A1SLC46A1KDM4E
SCHEMBL864864 0.88 DHFR (0.79) DHFRFOLR1SLC19A1SLC46A1KDM4E
SCHEMBL11628330 0.87 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
SCHEMBL12918463 0.87 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
SCHEMBL16968756 0.87 DHFR (0.80) DHFRFOLR1SLC19A1SLC46A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3964206-A1 COMPOUNDS FOR THE TREATMENT OF COVID-19 Dompe' Farmaceutici S.P.A. (IT) 2022-03-09 EP claimed
CN-118774184-A Dam post-seepage monitoring drainage structure capable of being constructed rapidly 中国电建集团华东勘测设计研究院有限公司 2024-10-15 CN disclosed
CN-109915311-B Ship-type tidal power generation system with automatic bidirectional or three-way switching function by water flow switch 廖伯成 2024-09-20 CN disclosed
CN-111021304-B Dam breaking test composite simulation device and method based on real-time reservoir capacity adjustment 长江水利委员会长江科学院 2024-04-19 CN disclosed
CN-117758664-A Gabion throwing and damming construction method 广西新港湾工程有限公司 2024-03-26 CN disclosed
CN-114411882-B Pump station arrangement structure based on small flow and large lift amplitude 中国电建集团贵阳勘测设计研究院有限公司 2024-03-26 CN disclosed
CN-109853490-B Method and device for temporarily lowering ecological flow in water storage period of concrete dam 中国电建集团贵阳勘测设计研究院有限公司 2024-03-01 CN disclosed
CN-116575411-A Throttling device and control method thereof 上海交大海洋水下工程科学研究院有限公司 2023-08-11 CN disclosed
CN-219260912-U Face rockfill dam body filling body capable of being continuously monitored by staged burying and permanent temporary combination 中国电建集团华东勘测设计研究院有限公司 2023-06-27 CN disclosed
CN-218373703-U Hydraulic hoist for lifting gate 河北核心水工机械有限公司 2023-01-24 CN disclosed
CN-114403065-B Method for environmentally-friendly and efficiently culturing shellfish in pond 苑春亭 2023-01-17 CN disclosed
CN-113089754-B Reservoir dredging method and device by utilizing fixed jet flow 西北农林科技大学 2022-12-27 CN disclosed
CN-113514535-B Movable dam permeation path weak magnetic detection data acquisition device and method 长江水利委员会长江科学院 2022-12-23 CN disclosed
EP-4097166-A1 MICELLAR COMPOSITION FROM AN AMPHIPHILIC COPOLYMER FOR TUMOR THERAPY Freie Universität Berlin (DE) 2022-12-07 EP disclosed
EP-4000606-A1 COMPOUNDS FOR CORONAVIRUS INFECTION TREATMENT AND/OR PREVENTION Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2022-05-25 EP disclosed
CN-114403065-A Environment-friendly and efficient shellfish breeding method for pond 苑春亭 2022-04-29 CN disclosed
EP-3964206-A1 COMPOUNDS FOR THE TREATMENT OF COVID-19 Dompe' Farmaceutici S.P.A. (IT) 2022-03-09 EP disclosed