SCHEMBL21558192

SCHEMBL21558192

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

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 14/20 0.64
▸ FOLR1 P15328 5/20 0.64
▸ SLC19A1 P41440 5/20 0.64
▸ SLC46A1 Q96NT5 5/20 0.64
▸ DHFR P00374 4/20 0.64
▸ GART P22102 2/20 0.64
▸ FOLR2 P14207 1/20 0.64
▸ ATIC P31939 1/20 0.64
▸ SHMT1 P34896 1/20 0.64
▸ FRK P42685 1/20 0.64

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
SCHEMBL21558193 0.89 GART (0.73) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL15145419 0.89 GART (0.73) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL15145417 0.87 GART (0.72) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL21558064 0.83 TYMS (0.53) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL4540576 0.83 TYMS (0.72) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL4540279 0.83 TYMS (0.72) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL464402 0.82 GART (0.71) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL11990724 0.82 GART (0.70) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL15078861 0.80 GART (0.84) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL464379 0.80 GART (0.70) TYMSFOLR1SLC19A1SLC46A1DHFR

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
EP-3566719-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASES Cerulean Pharma Inc. (US) 2019-11-13 — — EP disclosed
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