SCHEMBL6605795

SCHEMBL6605795

CCN(CC)CCOc1cc(NC(=O)c2csc(-c3ccncc3)n2)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.53
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TLR7 Q9NYK1 1/20 0.48
MAPK1 P28482 2/20 0.48
IDE P14735 1/20 0.47
MAPK10 P53779 1/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
IRAK4 Q9NWZ3 3/20 0.47
HPGD P15428 1/20 0.45
KDR P35968 3/20 0.44
ROCK2 O75116 1/20 0.44
FLT1 P17948 1/20 0.44

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
SCHEMBL6607034 0.94 MAPT (0.50) MCHR1MAPTLMNAMEN1KMT2A
SCHEMBL6603016 0.93 MCHR1 (0.62) MCHR1MAPTLMNAMEN1KMT2A
SCHEMBL6607021 0.89 MCHR1 (0.54) MCHR1MAPTLMNAMEN1KMT2A
SCHEMBL6603809 0.87 MCHR1 (0.54) MCHR1MAPTLMNAMEN1KMT2A
SCHEMBL6602984 0.85 MCHR1 (0.49) MCHR1MAPTTLR7KDM4ENPC1
SCHEMBL6606577 0.85 ALDH1A1 (0.53) MCHR1MAPTLMNATLR7MAPK1
SCHEMBL6603115 0.84 MCHR1 (0.48) MCHR1MAPTLMNAMEN1KMT2A
SCHEMBL6603151 0.84 MCHR1 (0.50) MCHR1MAPTLMNATLR7KDM4E
SCHEMBL7723576 0.84 MAPT (0.53) MCHR1MAPTMEN1KMT2AMAPK1
SCHEMBL6602624 0.82 NPSR1 (0.54) MCHR1MAPTLMNAMEN1KMT2A

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 4 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 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