SCHEMBL17500358

SCHEMBL17500358

Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)O)cc1)N2C=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.57
▸ LMNA P02545 1/20 0.53
▸ MTHFD1 P11586 2/20 0.38
▸ SOST Q9BQB4 1/20 0.37
▸ FPGS Q05932 2/20 0.37
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TYMS P04818 3/20 0.33
▸ MTHFD2 P13995 2/20 0.32
▸ ATIC P31939 1/20 0.32

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
SCHEMBL17500356 1.00 DHFR (0.57) DHFRLMNAMTHFD1SOSTFPGS
SCHEMBL22132529 0.93 DHFR (0.55) DHFRLMNAMTHFD1SOSTFPGS
SCHEMBL14025589 0.88 DHFR (0.60) DHFRLMNAMTHFD1SOSTFPGS
Leucovorin SCHEMBL5132046 0.85 DHFR (0.80) DHFRLMNAMTHFD1SOSTFPGS
Leucovorin SCHEMBL21632556 0.85 DHFR (0.80) DHFRLMNAMTHFD1SOSTFPGS
SCHEMBL24240301 0.85 DHFR (0.70) DHFRLMNAMTHFD1SOSTFPGS
Leucovorin SCHEMBL8349 0.85 DHFR (0.80) DHFRLMNAMTHFD1SOSTFPGS
SCHEMBL6126743 0.85 DHFR (0.54) DHFRLMNAMTHFD1SOSTFPGS
Leucovorin SCHEMBL571902 0.85 DHFR (0.80) DHFRLMNAMTHFD1SOSTFPGS
Leucovorin SCHEMBL8350 0.85 DHFR (0.80) DHFRLMNAMTHFD1SOSTFPGS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180237781-A1 COMPOSITIONS AND METHODS FOR REGULATION OF GENE EXPRESSION WITH, AND DETECTION OF, FOLINIC ACID AND FOLATES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-08-23 — — US claimed
WO-2016025750-A2 COMPOSITIONS AND METHODS FOR REGULATION OF GENE EXPRESSION WITH, AND DETECTION OF, FOLINIC ACID AND FOLATES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-02-18 — — WO claimed
US-20200255835-A1 COMPOSITIONS AND METHODS FOR REGULATION OF GENE EXPRESSION WITH, AND DETECTION OF, FOLINIC ACID AND FOLATES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-08-13 — — US disclosed
US-10450573-B2 Compositions and methods for regulation of gene expression with, and detection of, folinic acid and folates THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-10-22 — — US disclosed
US-20180237781-A1 COMPOSITIONS AND METHODS FOR REGULATION OF GENE EXPRESSION WITH, AND DETECTION OF, FOLINIC ACID AND FOLATES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-08-23 — — US disclosed
WO-2016025750-A2 COMPOSITIONS AND METHODS FOR REGULATION OF GENE EXPRESSION WITH, AND DETECTION OF, FOLINIC ACID AND FOLATES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-02-18 — — WO disclosed
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