SCHEMBL13508147

SCHEMBL13508147

Nc1nc2[nH]cc(CCc3ccc(C(=O)NCCCC(=O)ON4C(=O)CCC4=O)cc3)c2c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 19/20 0.55
▸ DHFR P00374 2/20 0.55
▸ FOLR2 P14207 1/20 0.55
▸ FOLR1 P15328 1/20 0.55
▸ GART P22102 1/20 0.55
▸ ATIC P31939 1/20 0.55
▸ SHMT1 P34896 1/20 0.55
▸ SLC19A1 P41440 1/20 0.55
▸ FRK P42685 1/20 0.55
▸ SLC46A1 Q96NT5 1/20 0.55

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
SCHEMBL12905188 0.88 TYMS (0.59) TYMSDHFRFOLR2FOLR1GART
SCHEMBL16582197 0.85 TYMS (0.70) TYMSDHFRFOLR2FOLR1GART
SCHEMBL2610601 0.85 TYMS (0.61) TYMSDHFRFOLR2FOLR1GART
SCHEMBL25498147 0.84 TYMS (0.56) TYMSDHFRFOLR2FOLR1GART
SCHEMBL2607964 0.84 GART (0.77) TYMSDHFRFOLR2FOLR1GART
SCHEMBL12314803 0.84 TYMS (0.60) TYMSDHFRFOLR2FOLR1GART
SCHEMBL24629271 0.82 TYMS (0.61) TYMSDHFRFOLR2FOLR1GART
SCHEMBL21558064 0.82 TYMS (0.53) TYMSDHFRFOLR2FOLR1GART
SCHEMBL12905859 0.81 TYMS (0.59) TYMSDHFRFOLR2FOLR1GART
SCHEMBL20386836 0.80 TYMS (0.56) TYMSDHFRFOLR2FOLR1GART

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326351-B1 CONJUGATES OF SMALL-INTERFERING NUCLEIC ACIDS NEKTAR THERAPEUTICS (US) 2017-12-27 — — EP disclosed
WO-2010021718-A1 COMPLEXES OF SMALL-INTERFERING NUCLEIC ACIDS NEKTAR THERAPEUTICS (US) 2010-02-25 — — WO disclosed
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