SCHEMBL25498256

SCHEMBL25498256

CC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 8/20 0.69
▸ FOLR1 P15328 7/20 0.69
▸ SLC46A1 Q96NT5 7/20 0.69
▸ SLC19A1 P41440 6/20 0.69
▸ GART P22102 6/20 0.69
▸ DHFR P00374 4/20 0.69
▸ FOLR2 P14207 3/20 0.69
▸ ATIC P31939 2/20 0.69
▸ SHMT1 P34896 1/20 0.69
▸ FRK P42685 1/20 0.69

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
SCHEMBL25498255 0.94 GART (0.79) TYMSFOLR1SLC46A1SLC19A1GART
SCHEMBL25498175 0.94 GART (0.79) TYMSFOLR1SLC46A1SLC19A1GART
SCHEMBL13915417 0.89 TYMS (0.76) TYMSFOLR1SLC46A1SLC19A1GART
SCHEMBL19758225 0.88 GART (0.87) TYMSFOLR1SLC46A1SLC19A1GART
SCHEMBL24142133 0.87 GART (0.79) TYMSFOLR1SLC46A1SLC19A1GART
SCHEMBL25498348 0.87 GART (0.79) TYMSFOLR1SLC46A1SLC19A1GART
SCHEMBL15078817 0.85 GART (0.84) TYMSFOLR1SLC46A1SLC19A1GART
SCHEMBL8855178 0.85 TYMS (0.73) TYMSFOLR1SLC46A1SLC19A1GART
SCHEMBL8855175 0.85 TYMS (0.73) TYMSFOLR1SLC46A1SLC19A1GART
SCHEMBL15078818 0.85 TYMS (0.72) TYMSFOLR1SLC46A1SLC19A1GART

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078464-A1 EPSILON-POLY-L-LYSINE-BASED DRUG CONJUGATE, INTERMEDIATE THEREOF, AND APPLICATION THEREOF 上海弼领生物技术有限公司 2023-05-11 — — WO disclosed
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