SCHEMBL5224156

SCHEMBL5224156

COc1cc2c(SC3CCCCC3)c(OC(=O)Nc3nnn[nH]3)sc2cc1COCc1ccccc1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.30
ADRA1A P35348 2/20 0.30
ADRA1B P35368 2/20 0.30
ATM Q13315 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
SCHEMBL5227163 0.91 POLB (0.31)
SCHEMBL5228680 0.84 PIK3CD (0.38)
SCHEMBL5230676 0.81 PIK3CD (0.36)
SCHEMBL5224808 0.79 MPO (0.37)
SCHEMBL4772079 0.78 NMT1 (0.36) ADRA1DADRA1AADRA1B
SCHEMBL5213315 0.72 PDGFRA (0.33)
SCHEMBL5225473 0.70 METAP2 (0.38)
SCHEMBL4938115 0.69 EDNRA (0.38)
SCHEMBL4770100 0.68 DYRK1A (0.35)
SCHEMBL9377138 0.67 SENP5 (0.47)

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