SCHEMBL3515192

SCHEMBL3515192

CC(=O)CCc1ccc(Oc2cc(Cc3ncc[nH]3)ccc2C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.40
FNTB P49356 10/20 0.40
PGGT1B P53609 10/20 0.40
FFAR1 O14842 3/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
MAOA P21397 1/20 0.35
SLC6A2 P23975 1/20 0.35
RAB9A P51151 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3515222 0.81 FNTA (0.44) FNTAFNTBPGGT1BCYP19A1CYP1A2
SCHEMBL3518730 0.79 FNTA (0.56) FNTAFNTBPGGT1BCYP19A1
SCHEMBL5548771 0.79 FNTA (0.56) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL8124358 0.77 FNTA (0.44) FNTAFNTBPGGT1BCYP19A1
SCHEMBL3518902 0.77 CYP19A1 (0.40) FNTAFNTBPGGT1BCYP19A1
SCHEMBL3515326 0.76 FNTA (0.39) FNTAFNTBPGGT1BCYP19A1
SCHEMBL3519840 0.76 SCN9A (0.47) FNTAFNTBPGGT1B
SCHEMBL3515256 0.75 FNTA (0.46) FNTAFNTBPGGT1BCYP19A1SMN1; SMN2
SCHEMBL8131715 0.75 FNTA (0.41) FNTAFNTBPGGT1BCYP19A1TP53
SCHEMBL3502111 0.74 FNTA (0.73) 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 11 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-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
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