SCHEMBL6020672

SCHEMBL6020672

COc1cc2sc(C(=O)Nc3nn[nH]n3)c(OC3CCCCC3)c2cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.59
MPO P05164 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.51
PKM P14618 1/20 0.47
EPHX1 P07099 1/20 0.38
PDE4D Q08499 4/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
GCG P01275 1/20 0.34
GCGR P47871 1/20 0.34
GIPR P48546 1/20 0.34
APLNR P35414 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE5A O76074 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33

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
SCHEMBL6529722 0.83 PIK3CD (0.65) PIK3CDMPOCYSLTR1PKMEPHX1
SCHEMBL4770249 0.82 PIK3CD (0.54) PIK3CDMPOCYSLTR1PKMPDE4D
SCHEMBL4766399 0.78 KMT2A (0.48) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL5744199 0.78 MPO (0.57) PIK3CDMPOCYSLTR1PKMKMT2A
SCHEMBL5217280 0.76 PIK3CD (0.54) PIK3CDMPOCYSLTR1PKMGCG
SCHEMBL5212891 0.76 PIK3CD (0.47) PIK3CDMPOCYSLTR1PKMEPHX1
SCHEMBL4942765 0.76 PIK3CD (0.54) PIK3CDMPOCYSLTR1PKMGCG
SCHEMBL5214659 0.76 PIK3CD (0.57) PIK3CDMPOCYSLTR1PKMGCG
SCHEMBL5214629 0.75 PIK3CD (0.51) PIK3CDMPOCYSLTR1PKMGCG
SCHEMBL6025026 0.75 MPO (0.44) PIK3CDMPOCYSLTR1PKMPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636210-A1 CYCLOALKYL AND HETEROCYCLOALKYL SUBSTITUTED BENZOTHIOPHENES AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-03-22 EP disclosed
WO-2004108713-A1 CYCLOALKYL AND HETEROCYCLOALKYL SUBSTITUTED BENZOTHIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO disclosed