SCHEMBL26015929

SCHEMBL26015929

Cc1ccc(CCCC(=O)NCCNC(=O)CC[C@H](NC(=O)c2ccc(CCc3c[nH]c4nc(N)[nH]c(=O)c34)cc2)C(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GART P22102 8/20 0.73
▸ FOLR1 P15328 7/20 0.73
▸ SLC46A1 Q96NT5 7/20 0.73
▸ SLC19A1 P41440 6/20 0.73
▸ TYMS P04818 5/20 0.73
▸ DHFR P00374 4/20 0.73
▸ FOLR2 P14207 3/20 0.73
▸ ATIC P31939 3/20 0.73
▸ SHMT1 P34896 2/20 0.73
▸ FRK P42685 1/20 0.73
▸ ALB P02768 1/20 0.49
▸ SHMT2 P34897 1/20 0.48

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
SCHEMBL26015979 0.93 GART (0.73) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL19705637 0.89 GART (0.74) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL19705636 0.89 GART (0.77) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL26019440 0.88 TYMS (0.55) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL26015972 0.85 GART (0.67) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL22967346 0.85 GART (0.93) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL29941201 0.85 GART (0.93) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL22967345 0.85 GART (0.93) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL22967367 0.85 GART (0.93) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL29710616 0.85 GART (0.93) 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 1 patent. 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
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