SCHEMBL6604053

SCHEMBL6604053

CC(C)N(CCOc1cccc(NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)c1)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
IDE P14735 1/20 0.57
MAPK10 P53779 1/20 0.57
ALDH1A1 P00352 2/20 0.55
MAPT P10636 4/20 0.55
KDM4E B2RXH2 2/20 0.55
TLR7 Q9NYK1 1/20 0.54
MCHR1 Q99705 2/20 0.53
NR1H4 Q96RI1 1/20 0.50
POLB P06746 2/20 0.49
IRAK4 Q9NWZ3 2/20 0.49
HTT P42858 1/20 0.47
F2RL3 Q96RI0 1/20 0.47
TRPV4 Q9HBA0 1/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL6604027 0.89 MAPT (0.58) MAPK1IDEMAPK10ALDH1A1MAPT
SCHEMBL6604994 0.89 NPSR1 (0.55) MAPK1IDEMAPK10ALDH1A1MAPT
SCHEMBL6604059 0.89 MAPK1 (0.57) MAPK1IDEMAPK10ALDH1A1MAPT
SCHEMBL6602613 0.87 MCHR1 (0.66) MAPK1IDEMAPK10ALDH1A1MAPT
SCHEMBL6604067 0.86 IRAK4 (0.56) MAPK1IDEMAPK10ALDH1A1MAPT
SCHEMBL6603223 0.85 KMT2A (0.58) ALDH1A1MAPTMCHR1NR1H4POLB
SCHEMBL6603342 0.81 PANK3 (0.53) ALDH1A1MAPTKDM4ETLR7MCHR1
SCHEMBL6603701 0.81 IRAK4 (0.45) MAPK1IDEMAPK10ALDH1A1MAPT
SCHEMBL6607004 0.80 IRAK4 (0.45) ALDH1A1MAPTKDM4EMCHR1IRAK4
SCHEMBL6605001 0.77 NPSR1 (0.55) MAPK1IDEMAPK10ALDH1A1MAPT

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