SCHEMBL6607034

SCHEMBL6607034

CCCN(CCC)CCOc1cc(NC(=O)c2csc(-c3ccncc3)n2)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TLR7 Q9NYK1 1/20 0.48
MAPK1 P28482 2/20 0.48
IDE P14735 1/20 0.46
MAPK10 P53779 1/20 0.46
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IRAK4 Q9NWZ3 5/20 0.46
MCHR1 Q99705 1/20 0.46
HPGD P15428 1/20 0.44
ROCK2 O75116 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL6605795 0.94 MCHR1 (0.53) MAPTLMNAMEN1KMT2ATLR7
SCHEMBL6603809 0.93 MCHR1 (0.54) MAPTLMNAMEN1KMT2ATLR7
SCHEMBL6607021 0.88 MCHR1 (0.54) MAPTLMNAMEN1KMT2ATLR7
SCHEMBL6603016 0.87 MCHR1 (0.62) MAPTLMNAMEN1KMT2ATLR7
SCHEMBL6602784 0.85 MAPT (0.45) MAPTMEN1KMT2ATLR7MAPK1
SCHEMBL6602620 0.85 ALDH1A1 (0.52) MAPTLMNATLR7MAPK1IDE
SCHEMBL6604151 0.85 TLR7 (0.46) MAPTLMNATLR7KDM4ERAB9A
SCHEMBL6604870 0.84 MAPT (0.52) MAPTMEN1KMT2AMAPK1KDM4E
SCHEMBL6604075 0.84 IRAK4 (0.56) MAPTLMNAMEN1KMT2ATLR7
SCHEMBL6602569 0.83 MCHR1 (0.65) MAPTMEN1KMT2AMAPK1KDM4E

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 3 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
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