SCHEMBL3520728

SCHEMBL3520728

N#Cc1ccc(Cc2ncc(CN)[nH]2)cc1Oc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.49
FNTB P49356 10/20 0.49
PGGT1B P53609 10/20 0.49
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SLC22A12 Q96S37 1/20 0.38
AR P10275 2/20 0.37
LMNA P02545 1/20 0.36
ADRB2 P07550 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCAT2 O15382 1/20 0.36
BCAT1 P54687 1/20 0.36
BRS3 P32247 1/20 0.33

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
SCHEMBL3515318 0.90 FNTA (0.49) FNTAFNTBPGGT1BSLC6A2SLC6A4
SCHEMBL3520246 0.86 FNTA (0.52) FNTAFNTBPGGT1BSLC6A2SLC6A4
SCHEMBL5553326 0.76 FNTA (0.52) FNTAFNTBPGGT1BSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6438009 0.76 DAO (0.45) BRS3
Hydrochloric Acid SCHEMBL8116988 0.75 FNTA (0.51) FNTAFNTBPGGT1BSLC6A2SLC6A4
SCHEMBL3518912 0.72 FNTA (0.46) FNTAFNTBPGGT1B
SCHEMBL3500176 0.71 FNTA (0.62) FNTAFNTBPGGT1B
SCHEMBL3501554 0.71 FNTA (0.67) FNTAFNTBPGGT1B
SCHEMBL7455068 0.70 AR (0.39) FNTAFNTBPGGT1BARBRS3
SCHEMBL7743907 0.70 DAO (0.47)

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 9 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-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
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