SCHEMBL5064786

SCHEMBL5064786

Nc1nc2c(c(=O)[nH]1)N(C=O)C(CNC1=CCC(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC1)=CN2

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.46
▸ MTHFD2 P13995 2/20 0.40
▸ MTHFD1 P11586 2/20 0.40
▸ ATIC P31939 3/20 0.40
▸ SOST Q9BQB4 1/20 0.39
▸ GART P22102 7/20 0.38

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 0.90 MTHFD1 (0.44) DHFRMTHFD2MTHFD1ATICSOST
Leucovorin SCHEMBL1259919 0.87 DHFR (0.71) DHFRMTHFD2MTHFD1ATICSOST
SCHEMBL8406397 0.85 FPGS (0.41) DHFRMTHFD2MTHFD1ATICSOST
SCHEMBL14843581 0.84 DHFR (0.46) DHFRMTHFD2MTHFD1ATICSOST
SCHEMBL7757766 0.78 DHFR (0.31) DHFR
SCHEMBL2906514 0.76 TYMS (0.62) DHFRATICGART
SCHEMBL4616964 0.74 MTHFD1 (0.47) DHFRMTHFD2MTHFD1ATICSOST
SCHEMBL17097094 0.67 MTHFD1 (0.63) DHFRMTHFD2MTHFD1ATICSOST
SCHEMBL2166341 0.67 MTHFD1 (0.63) DHFRMTHFD2MTHFD1ATICSOST
SCHEMBL15531651 0.65 AKR1B1 (0.48) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080213775-A1 METHODS AND MATERIALS FOR IDENTIFYING POLYMORPHIC VARIANTS, DIAGNOSING SUSCEPTIBILITIES, AND TREATING DISEASE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND (US) 2008-09-04 — — US disclosed
WO-2007001259-A1 METHODS AND MATERIALS FOR IDENTIFYING POLYMORPHIC VARIANTS, DIAGNOSING SUSCEPTIBILITIES, AND TREATING DISEASE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-01-04 — — WO disclosed
WO-2001056385-A1 METHODS AND COMPOSITIONS FOR ENHANCING FORMYLTETRAHYDROPTEROYLPOLYGLUTAMATE IN PLANTS NONOMURA ARTHUR M (US) 2001-08-09 — — WO disclosed
US-6121195-A STIMULATING CARBON FIXATION AND INCREASING THE GROWTH OF PLANTS BY ENHANCING THE AVAILABILITY OF C1-TETRAHYDROFOLATE IN THE LEAVES OF A PLANT NONOMURA ARTHUR M (US) 2000-09-19 — — US disclosed
US-5846908-A Methods and compositions for enhancing plant growth with p-amino- or p-nitro-benzoic acids NONOMURA ARTHUR M (US) 1998-12-08 — — US disclosed
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