SCHEMBL8406397

SCHEMBL8406397

CN1C(CNC2=CCC(C(=O)N[C@@H](CCC(N)=O)C(=O)O)CC2)=CNc2nc(N)[nH]c(=O)c21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FPGS Q05932 1/20 0.41
▸ MTHFD1 P11586 2/20 0.39
▸ DHFR P00374 1/20 0.38
▸ MTHFD2 P13995 2/20 0.36
▸ SOST Q9BQB4 1/20 0.35
▸ ATIC P31939 4/20 0.35
▸ GART P22102 7/20 0.34
▸ FOLR1 P15328 2/20 0.34

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
SCHEMBL3195061 0.95 MTHFD1 (0.44) MTHFD1DHFRMTHFD2SOSTATIC
SCHEMBL17560322 0.85 NOS1 (0.32) MTHFD1DHFR
SCHEMBL5064786 0.85 DHFR (0.46) MTHFD1DHFRMTHFD2SOSTATIC
SCHEMBL4616964 0.79 MTHFD1 (0.47) MTHFD1DHFRMTHFD2SOSTATIC
Leucovorin SCHEMBL1259919 0.74 DHFR (0.71) FPGSMTHFD1DHFRMTHFD2SOST
SCHEMBL17097094 0.72 MTHFD1 (0.63) MTHFD1DHFRMTHFD2SOSTATIC
SCHEMBL2166341 0.72 MTHFD1 (0.63) MTHFD1DHFRMTHFD2SOSTATIC
SCHEMBL2906514 0.72 TYMS (0.62) DHFRATICGART
SCHEMBL16085830 0.71 MTHFD1 (0.55) FPGSMTHFD1DHFRMTHFD2SOST
SCHEMBL14843581 0.69 DHFR (0.46) MTHFD1DHFRMTHFD2SOSTATIC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579806-B1 MEDICAMENT FOR THE TREATMENT AND/OR PROPHYLAXIS OF FOLATE METABOLISM DISORDERS KRAGLER PETER (DE) 1999-07-07 — — EP disclosed
EP-0579806-A1 MEDICAMENT FOR THE TREATMENT AND/OR PROPHYLAXIS OF FOLATE METABOLISM DISORDERS WALDTHALER, Urban (DE) 1994-01-26 — — EP disclosed
WO-1993015738-A1 MEDICAMENT FOR THE TREATMENT AND/OR PROPHYLAXIS OF FOLATE METABOLISM DISORDERS WALDTHALER URBAN (DE) 1993-08-19 — — WO disclosed
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