SCHEMBL25439555

SCHEMBL25439555

Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)OCCCC(N)CCc4ccc(I)cc4)C(=O)O)cc3)c2c(=O)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GART P22102 11/20 0.68
▸ FOLR1 P15328 7/20 0.68
▸ SLC46A1 Q96NT5 7/20 0.68
▸ SLC19A1 P41440 6/20 0.68
▸ TYMS P04818 5/20 0.68
▸ DHFR P00374 4/20 0.68
▸ FOLR2 P14207 3/20 0.68
▸ ATIC P31939 2/20 0.68
▸ SHMT1 P34896 1/20 0.68
▸ FRK P42685 1/20 0.68

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
SCHEMBL26015972 0.88 GART (0.67) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL15161119 0.84 GART (0.72) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL15161027 0.84 GART (0.74) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL15161026 0.84 GART (0.84) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL15078817 0.84 GART (0.84) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL15145417 0.83 GART (0.72) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL26015979 0.82 GART (0.73) GARTFOLR1SLC46A1SLC19A1TYMS
Pemetrexed SCHEMBL7144918 0.82 GART (1.00) GARTFOLR1SLC46A1SLC19A1TYMS
Pemetrexed SCHEMBL5959741 0.82 GART (1.00) GARTFOLR1SLC46A1SLC19A1TYMS
Pemetrexed SCHEMBL209720 0.82 GART (1.00) GARTFOLR1SLC46A1SLC19A1TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150899-A1 CONJUGATES OF CHEMOTHERAPY AGENTS AND TISSUE-BINDING SMALL MOLECULES, COMPOSITIONS AND METHODS THEREOF CANWELL BIOTECH LIMITED (CN) 2023-08-17 — — WO disclosed
WO-2023151513-A1 CONJUGATES OF CHEMOTHERAPY AGENTS AND TISSUE-BINDING SMALL MOLECULES, COMPOSITIONS AND METHODS THEREOF CANWELL BIOTECH LIMITED (CN) 2023-08-17 — — WO disclosed
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