SCHEMBL3515228

SCHEMBL3515228

N#Cc1ccc(Cc2ncc[nH]2)cc1Oc1ccccc1-n1ccccc1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.39
FNTB P49356 15/20 0.39
PGGT1B P53609 15/20 0.39
TAAR1 Q96RJ0 1/20 0.37
BCAT2 O15382 2/20 0.35
BCAT1 P54687 2/20 0.35
SCN9A Q15858 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL8124358 0.88 FNTA (0.44) FNTAFNTBPGGT1BTAAR1CYP19A1
SCHEMBL8127231 0.86 FNTA (0.47) FNTAFNTBPGGT1BCYP19A1
SCHEMBL8194754 0.81 FNTA (0.36) FNTAFNTBPGGT1BTAAR1SCN9A
SCHEMBL8200471 0.81 FNTA (0.36) FNTAFNTBPGGT1BTAAR1SCN9A
SCHEMBL5552218 0.80 FNTA (0.35) FNTAFNTBPGGT1BTAAR1BCAT2
SCHEMBL3499744 0.77 FNTA (0.67) FNTAFNTBPGGT1B
SCHEMBL3516586 0.77 SCN9A (0.41) FNTAFNTBPGGT1BTAAR1BCAT1
SCHEMBL5553361 0.75 PTK2 (0.41) FNTAFNTBPGGT1BTAAR1
SCHEMBL3689981 0.75 FNTA (0.42) FNTAFNTBPGGT1BTAAR1
SCHEMBL5548771 0.74 FNTA (0.56) FNTAFNTBPGGT1BTAAR1CYP19A1

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-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
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