SCHEMBL5228680

SCHEMBL5228680

COc1cc2c(SC3CCCCC3)c(OC(=O)Nc3nnn[nH]3)sc2cc1C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
CHRM4 P08173 1/20 0.30

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
SCHEMBL5230676 0.96 PIK3CD (0.36) PIK3CDCHRM4
SCHEMBL5225302 0.94 PIK3CD (0.32) PIK3CD
SCHEMBL5226252 0.93 PIK3CD (0.32) PIK3CD
SCHEMBL5226593 0.89 PIK3CD (0.31) PIK3CD
SCHEMBL5227163 0.87 POLB (0.31) PIK3CD
SCHEMBL5227538 0.86 MPO (0.36)
SCHEMBL5224808 0.85 MPO (0.37)
SCHEMBL5224156 0.84 ADRA1D (0.30)
SCHEMBL5225473 0.74 METAP2 (0.38)
SCHEMBL4770165 0.72 PIK3CD (0.37) PIK3CDCHRM4

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