SCHEMBL5224808

SCHEMBL5224808

COc1ccc2sc(OC(=O)Nc3nnn[nH]3)c(SC3CCCC3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MAPT P10636 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SYK P43405 1/20 0.33
APP P05067 3/20 0.33
CDK1 P06493 5/20 0.33
MAPKAPK2 P49137 5/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
ITK Q08881 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL5227538 0.99 MPO (0.36) MPOCYSLTR1MAOAMAOBMAPT
SCHEMBL5225473 0.87 METAP2 (0.38) MPOCYSLTR1MAOAMAOBMAPT
SCHEMBL5230676 0.85 PIK3CD (0.36)
SCHEMBL5228680 0.85 PIK3CD (0.38)
SCHEMBL5227163 0.80 POLB (0.31)
SCHEMBL9247114 0.72 MPO (0.56) MPOCYSLTR1MAPTNPC1RAB9A
SCHEMBL4766614 0.72 EDNRA (0.48) MAOAMAOBMAPTNPC1RAB9A
SCHEMBL9246108 0.72 MPO (0.48) MPOCYSLTR1MAPTNPC1RAB9A
SCHEMBL4766085 0.71 EDNRA (0.47) MAOAMAOBMAPTNPC1RAB9A
SCHEMBL6812788 0.70 EDNRA (0.51) MPOCYSLTR1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636212-B1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO¬B|THIOPHENES AS THERAPEUTIC AGENTS WARNER LAMBERT CO (US) 2007-06-27 EP claimed