SCHEMBL23752184

SCHEMBL23752184

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

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 17/20 0.71
▸ DHFR P00374 4/20 0.71
▸ FOLR1 P15328 2/20 0.71
▸ SLC19A1 P41440 2/20 0.71
▸ SLC46A1 Q96NT5 2/20 0.71
▸ FOLR2 P14207 1/20 0.71
▸ GART P22102 1/20 0.71
▸ ATIC P31939 1/20 0.71
▸ SHMT1 P34896 1/20 0.71
▸ FRK P42685 1/20 0.71

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
SCHEMBL13524781 0.90 TYMS (0.74) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL12232207 0.85 GART (0.83) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL12180576 0.85 TYMS (0.80) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL12264580 0.85 TYMS (0.69) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL23117778 0.85 TYMS (0.69) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL23117779 0.85 TYMS (0.69) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL24413672 0.85 GART (0.85) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL13524779 0.84 TYMS (0.67) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL25476851 0.84 TYMS (0.64) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL22326829 0.84 GART (0.87) TYMSDHFRFOLR1SLC19A1SLC46A1

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
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 — — US disclosed
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