SCHEMBL289402

SCHEMBL289402

Cc1nc(Br)sc1CC=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL4435329 0.81 SLC6A3 (0.39) CYP1A2HRH2HRH1HRH4
SCHEMBL8480291 0.78 ALDH1A1 (0.41)
SCHEMBL2489354 0.78 HRH2 (0.55) CYP1A2HRH2HRH1HRH4
SCHEMBL13802271 0.78
SCHEMBL6157704 0.75 ITGB3 (0.34)
SCHEMBL5162056 0.75 FBP1 (0.33)
SCHEMBL6120940 0.75 LMNA (0.34)
SCHEMBL4565613 0.75 KMT2A (0.43)
SCHEMBL12806717 0.73
SCHEMBL6157156 0.72 SHMT2 (0.35)

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-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP disclosed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO disclosed