SCHEMBL3515256

SCHEMBL3515256

N#Cc1ccc(Cc2ncc[nH]2)cc1Oc1ccc2ncccc2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.46
FNTB P49356 13/20 0.46
PGGT1B P53609 13/20 0.46
CYP19A1 P11511 1/20 0.43
MET P08581 1/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
PDE10A Q9Y233 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
TGFBR1 P36897 1/20 0.36

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
SCHEMBL5548771 0.90 FNTA (0.56) FNTAFNTBPGGT1BCYP19A1TAAR1
SCHEMBL3518730 0.81 FNTA (0.56) FNTAFNTBPGGT1BCYP19A1GRIN1
SCHEMBL8131715 0.80 FNTA (0.41) FNTAFNTBPGGT1BCYP19A1GRIN1
SCHEMBL3518902 0.80 CYP19A1 (0.40) FNTAFNTBPGGT1BCYP19A1TAAR1
SCHEMBL3515222 0.79 FNTA (0.44) FNTAFNTBPGGT1BCYP19A1TAAR1
SCHEMBL3515326 0.79 FNTA (0.39) FNTAFNTBPGGT1BCYP19A1TAAR1
SCHEMBL5552124 0.77 FNTA (0.59) FNTAFNTBPGGT1BCYP19A1TAAR1
SCHEMBL8124358 0.76 FNTA (0.44) FNTAFNTBPGGT1BCYP19A1TAAR1
SCHEMBL3502573 0.75 FNTA (0.80) FNTAFNTBPGGT1B
SCHEMBL3515192 0.75 FNTA (0.40) FNTAFNTBPGGT1BCYP19A1SMN1; SMN2

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