Sugi Predict

Sugi Predict / Compounds / SCHEMBL19956092

SCHEMBL19956092

SCHEMBL19956092

CCCC(NC(=O)c1ccc(C#CCCc2cc3c(=O)[nH]c(N)nc3[nH]2)s1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FOLR1 P15328 15/20 0.72
▸ SLC46A1 Q96NT5 13/20 0.72
▸ GART P22102 15/20 0.64
▸ FOLR2 P14207 12/20 0.64
▸ SLC19A1 P41440 5/20 0.64

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
SCHEMBL3159171 0.93 GART (0.72) FOLR1SLC46A1GARTFOLR2SLC19A1
SCHEMBL3159155 0.93 GART (0.72) FOLR1SLC46A1GARTFOLR2SLC19A1
SCHEMBL3165292 0.88 GART (0.76) FOLR1SLC46A1GARTFOLR2SLC19A1
SCHEMBL3165309 0.88 GART (0.76) FOLR1SLC46A1GARTFOLR2SLC19A1
SCHEMBL3153283 0.85 FOLR1 (0.54) FOLR1SLC46A1GARTFOLR2SLC19A1
SCHEMBL3153296 0.84 FOLR1 (0.58) FOLR1SLC46A1GARTFOLR2SLC19A1
SCHEMBL3165358 0.81 FOLR1 (0.59) FOLR1SLC46A1GARTFOLR2SLC19A1
SCHEMBL3159872 0.81 GART (0.60) FOLR1SLC46A1GARTFOLR2SLC19A1
SCHEMBL3165332 0.81 FOLR1 (0.55) FOLR1SLC46A1GARTFOLR2SLC19A1
SCHEMBL3159856 0.80 FOLR1 (0.55) FOLR1SLC46A1GARTFOLR2SLC19A1

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
Send feedback