SCHEMBL5744199

SCHEMBL5744199

COc1cc2c(Oc3ccccc3)c(C(=O)Nc3nn[nH]n3)sc2cc1C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.57
CYSLTR1 Q9Y271 1/20 0.57
PIK3CD O00329 1/20 0.55
PKM P14618 1/20 0.50
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ME2 P23368 1/20 0.39
ME1 P48163 1/20 0.39
ME3 Q16798 1/20 0.39
APP P05067 1/20 0.39
NUDT1 P36639 1/20 0.38
PDGFRB P09619 1/20 0.35
GPR35 Q9HC97 1/20 0.35
EDNRA P25101 1/20 0.35
AGTR1 P30556 1/20 0.35

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
SCHEMBL5215803 0.95 MPO (0.56) MPOCYSLTR1PIK3CDPKMALDH1A1
SCHEMBL4770049 0.86 MPO (0.52) MPOCYSLTR1PIK3CDPKMALDH1A1
SCHEMBL5217280 0.85 PIK3CD (0.54) MPOCYSLTR1PIK3CDPKM
SCHEMBL4942765 0.85 PIK3CD (0.54) MPOCYSLTR1PIK3CDPKMKDM4E
SCHEMBL5246136 0.84 PIK3CD (0.51) MPOCYSLTR1PIK3CDPKMAPP
SCHEMBL5214629 0.84 PIK3CD (0.51) MPOCYSLTR1PIK3CDPKMALDH1A1
SCHEMBL5214659 0.83 PIK3CD (0.57) MPOCYSLTR1PIK3CDPKMMEN1
SCHEMBL5215532 0.79 EDNRA (0.44) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL5797414 0.78 PIK3CD (0.47) MPOCYSLTR1PIK3CDPKMMEN1
SCHEMBL6020672 0.78 PIK3CD (0.59) MPOCYSLTR1PIK3CDPKMKMT2A

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-1636213-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY Warner-Lambert Company LLC (US) 2006-03-22 EP disclosed
WO-2004108715-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO disclosed