SCHEMBL3518488

SCHEMBL3518488

Cn1cncc1C(CO)c1ccc(C#N)c(Oc2cccc(Nc3ccccc3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.53
FNTB P49356 7/20 0.53
PGGT1B P53609 6/20 0.53
RAF1 P04049 1/20 0.42
MAP2K1 Q02750 1/20 0.42

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
SCHEMBL3681241 0.90 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL3519556 0.86 FNTA (0.54) FNTAFNTBPGGT1B
SCHEMBL3688109 0.85 PGGT1B (0.48) FNTAFNTBPGGT1B
SCHEMBL3518473 0.85 FNTA (0.52) FNTAFNTBPGGT1B
SCHEMBL5548775 0.84 FNTA (0.51) FNTAFNTBPGGT1BRAF1MAP2K1
SCHEMBL3519588 0.84 PGGT1B (0.50) FNTAFNTBPGGT1B
SCHEMBL5548779 0.84 FNTA (0.60) FNTAFNTBPGGT1B
SCHEMBL3498367 0.77 FNTA (0.57) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL3692429 0.75 PGGT1B (0.48) FNTAFNTBPGGT1B
SCHEMBL3687061 0.74 FNTA (0.85) FNTAFNTBPGGT1B

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-2155197-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES Link Medicine Corporation (US) 2010-02-24 EP disclosed
WO-2008112525-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES LINK MEDICINE CORPORATION (US) 2008-09-18 WO disclosed