SCHEMBL6604027

SCHEMBL6604027

CC(C)N(CCOc1cccc(NC(=O)c2csc(-c3ccccc3)n2)c1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
ATM Q13315 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
KDM4E B2RXH2 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
HPGD P15428 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 2/20 0.56
IRAK4 Q9NWZ3 3/20 0.55
MCHR1 Q99705 7/20 0.52
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
HTR2C P28335 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
IDE P14735 1/20 0.46

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
SCHEMBL6604067 0.94 IRAK4 (0.56) MAPTATMNPSR1L3MBTL1KDM4E
SCHEMBL6604053 0.89 MAPK1 (0.57) MAPTATMNPSR1L3MBTL1KDM4E
SCHEMBL6604034 0.87 MAPT (0.58) MAPTATMNPSR1L3MBTL1KDM4E
SCHEMBL6603342 0.86 PANK3 (0.53) MAPTATMNPSR1L3MBTL1KDM4E
SCHEMBL6603701 0.86 IRAK4 (0.45) MAPTATMNPSR1L3MBTL1KDM4E
SCHEMBL6607004 0.85 IRAK4 (0.45) MAPTATMNPSR1L3MBTL1KDM4E
SCHEMBL6603803 0.85 MCHR1 (0.63) MAPTATMNPSR1L3MBTL1KDM4E
SCHEMBL6606883 0.83 PARP1 (0.51) MAPTNPSR1SMN1; SMN2MEN1ALDH1A1
SCHEMBL6604994 0.82 NPSR1 (0.55) MAPTATMNPSR1L3MBTL1KDM4E
SCHEMBL6604075 0.81 IRAK4 (0.56) MAPTATMNPSR1L3MBTL1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP claimed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP claimed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed