SCHEMBL5548775

SCHEMBL5548775

Cn1cncc1CC(O)c1ccc(C#N)c(Oc2cccc(Nc3ccccc3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.51
FNTB P49356 16/20 0.51
PGGT1B P53609 16/20 0.51
RAF1 P04049 1/20 0.38
MAP2K1 Q02750 1/20 0.38
PDE4A P27815 1/20 0.37

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
SCHEMBL3516596 0.91 FNTA (0.49) FNTAFNTBPGGT1BPDE4A
SCHEMBL8125823 0.86 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL3520386 0.85 PGGT1B (0.48) FNTAFNTBPGGT1BPDE4A
SCHEMBL5552177 0.84 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL3518488 0.84 FNTA (0.53) FNTAFNTBPGGT1BRAF1MAP2K1
SCHEMBL5548779 0.84 FNTA (0.60) FNTAFNTBPGGT1B
SCHEMBL5552065 0.83 FNTA (0.46) FNTAFNTBPGGT1B
SCHEMBL3516211 0.81 FNTA (0.45) FNTAFNTBPGGT1B
SCHEMBL3498367 0.76 FNTA (0.57) FNTAFNTBPGGT1B
SCHEMBL3516597 0.75 FNTA (0.56) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744751-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-24 EP claimed
WO-2005089502-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO claimed
WO-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 WO claimed
EP-1021188-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-26 EP claimed
WO-1999017777-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-04-15 WO claimed
EP-1744751-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-24 EP disclosed
WO-2005089502-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO disclosed
WO-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 WO disclosed
EP-1021188-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-26 EP disclosed
WO-1999017777-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-04-15 WO disclosed