SCHEMBL19956090

SCHEMBL19956090

NC(=O)c1ccc(C#CCCc2cc3c(=O)[nH]c(N)nc3[nH]2)o1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLR1 P15328 11/20 0.49
FOLR2 P14207 8/20 0.49
GART P22102 10/20 0.46
SLC46A1 Q96NT5 6/20 0.46
SLC19A1 P41440 3/20 0.46
DHFR P00374 4/20 0.46

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
SCHEMBL3161406 0.83 FOLR1 (0.69) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL3161383 0.83 FOLR1 (0.69) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL3156341 0.79 FOLR1 (0.54) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL3156359 0.77 FOLR1 (0.57) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL18551757 0.74 GART (0.65) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL2358592 0.73 FOLR1 (0.51) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL19956093 0.73 FOLR1 (0.57) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL28021410 0.71 FOLR1 (0.56) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL28937841 0.69 FOLR1 (0.53) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL17598267 0.69 FOLR1 (0.84) FOLR1FOLR2GARTSLC46A1SLC19A1

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-2995199-B1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME UNIV HOLY GHOST DUQUESNE (US) 2018-03-14 EP disclosed