SCHEMBL25167471

SCHEMBL25167471

Nc1nc(=O)c2nc(CN(S)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 9/20 0.57
TYMS P04818 4/20 0.57
GART P22102 4/20 0.57
ATIC P31939 3/20 0.57
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 2/20 0.57
POLB P06746 2/20 0.57
HPGD P15428 2/20 0.57
KMT2A Q03164 2/20 0.57
HSD17B10 Q99714 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
GAA P10253 1/20 0.57
AKR1B1 P15121 1/20 0.57
TSHR P16473 1/20 0.57
PTGS2 P35354 1/20 0.57
TLR4 O00206 1/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
GLA P06280 1/20 0.57

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
SCHEMBL338037 0.92 DHFR (0.57) DHFRTYMSGARTATICKDM4E
SCHEMBL20486467 0.91 DHFR (0.57) DHFRTYMSGARTATICKDM4E
SCHEMBL28135233 0.91 DHFR (0.57) DHFRTYMSGARTATICKDM4E
SCHEMBL16583122 0.91 DHFR (0.57) DHFRTYMSGARTATICKDM4E
SCHEMBL869876 0.91 DHFR (0.57) DHFRTYMSGARTATICKDM4E
SCHEMBL28344641 0.91 DHFR (0.57) DHFRTYMSGARTATICKDM4E
SCHEMBL1547432 0.91 DHFR (0.60) DHFRTYMSGARTATICKDM4E
SCHEMBL15530423 0.91 DHFR (0.56) DHFRTYMSGARTATICKDM4E
SCHEMBL3771709 0.91 DHFR (0.56) DHFRTYMSGARTATICKDM4E
SCHEMBL28783565 0.91 DHFR (0.56) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024100044-A1 POLYPLEXES OF NUCLEIC ACIDS AND TARGETED CONJUGATES COMPRISING POLYETHYLENEIMINE AND POLYETHYLENE GLYCOL TARGIMMUNE THERAPEUTICS AG (CH) 2024-05-16 WO disclosed
WO-2024100046-A1 TARGETED LINEAR CONJUGATES COMPRISING POLYETHYLENEIMINE AND POLYETHYLENE GLYCOL AND POLYPLEXES COMPRISING THE SAME TARGIMMUNE THERAPEUTICS AG (CH) 2024-05-16 WO disclosed
WO-2024100040-A1 PSMA-TARGETING LINEAR CONJUGATES COMPRISING POLYETHYLENEIMINE AND POLYETHYLENE GLYCOL AND POLYPLEXES COMPRISING THE SAME TARGIMMUNE THERAPEUTICS AG (CH) 2024-05-16 WO disclosed
CN-114907840-B Fluorescent gold nanocluster for monitoring intracellular GSH concentration and preparation method thereof 安徽大学 2023-05-26 CN disclosed
WO-2023079142-A2 TARGETED LINEAR CONJUGATES COMPRISING POLYETHYLENEIMINE AND POLYETHYLENE GLYCOL AND POLYPLEXES COMPRISING THE SAME TARGIMMUNE THERAPEUTICS AG (CH) 2023-05-11 WO disclosed
CN-114907840-A Fluorescent gold nanocluster for monitoring intracellular GSH concentration and preparation method thereof 安徽大学 2022-08-16 CN disclosed
CN-101361981-A Preparation method of nano material suitable for infrared-light targeted therapy of cancer UNIV QINGDAO (CN) 2009-02-11 CN disclosed