SCHEMBL29853494

SCHEMBL29853494

Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CCC(=O)ON4C(=O)CCC4=O)C(=O)O)cc3)nc2c(=O)[nH]1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYMS P04818 3/20 0.76
KDM4E B2RXH2 1/20 0.76
MEN1 O00255 1/20 0.76
ALDH1A1 P00352 1/20 0.76
POLB P06746 1/20 0.76
GAA P10253 1/20 0.76
AKR1B1 P15121 1/20 0.76
HPGD P15428 1/20 0.76
TSHR P16473 1/20 0.76
PTGS2 P35354 1/20 0.76
KMT2A Q03164 1/20 0.76
HSD17B10 Q99714 1/20 0.76
TDP1 Q9NUW8 1/20 0.76
ADORA3 P0DMS8 1/20 0.57
DHFR P00374 7/20 0.52
GART P22102 2/20 0.52
ATIC P31939 2/20 0.52

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
SCHEMBL13658559 1.00 TYMS (0.76) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL434591 1.00 TYMS (0.76) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL14947039 0.94 TYMS (0.67) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL14264584 0.92 TYMS (0.67) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL20386936 0.91 TYMS (0.61) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL34465311 0.90 TYMS (0.65) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL26058996 0.90 TYMS (0.61) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL973923 0.90 TYMS (0.76) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL14431105 0.90 TYMS (0.60) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL16965374 0.90 TYMS (0.60) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122031424-A Composite nanomaterial for targeting digestive tract tumor and preparation method thereof 中山大学附属第六医院 2026-05-15 CN disclosed
CN-119013046-A Folic acid-antibody conjugates as lysosomal targeted degradants 威斯康星校友研究基金会 2024-11-22 CN disclosed
WO-2024155879-A1 ENHANCING BRAIN PERMEABILITY AND ACTIVITY OF GLUCOSYLCERAMIDASE (GCase) PROSNA FOR NEURODEGENERATIVE DISEASES NORTHWESTERN UNIVERSITY (US) 2024-07-25 WO disclosed
CN-115176009-A Methods and compositions for targeting PD-L1 安力高医药股份有限公司 2022-10-11 CN disclosed
EP-2414322-B1 POLYAMINE DERIVATIVES EGEN INC (US) 2022-09-14 EP disclosed