SCHEMBL17907495

SCHEMBL17907495

O=C(/C=C/c1ccccn1)c1cc(OCc2ccc(F)cc2)ccc1O.O=C(/C=C/c1ccccn1)c1cc(OCc2ccccc2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.56
CYSLTR1 Q9Y271 1/20 0.56
KDM4E B2RXH2 3/20 0.55
MAPT P10636 3/20 0.55
HSP90AA1 P07900 2/20 0.55
ALDH1A1 P00352 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAOB P27338 6/20 0.52
APP P05067 1/20 0.48
MAOA P21397 1/20 0.48
SLC5A1 P13866 1/20 0.47
SLC5A2 P31639 1/20 0.47
MCL1 Q07820 1/20 0.45

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
SCHEMBL17907496 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1KDM4EMAPTHSP90AA1
SCHEMBL751929 0.98 KDM4E (0.57) CYSLTR2CYSLTR1KDM4EMAPTHSP90AA1
SCHEMBL751930 0.98 KDM4E (0.57) CYSLTR2CYSLTR1KDM4EMAPTHSP90AA1
SCHEMBL752857 0.94 CYSLTR2 (0.62) CYSLTR2CYSLTR1KDM4EMAPTHSP90AA1
SCHEMBL752858 0.94 CYSLTR2 (0.62) CYSLTR2CYSLTR1KDM4EMAPTHSP90AA1
SCHEMBL18601432 0.89 KDM4E (0.56) CYSLTR2CYSLTR1KDM4EMAPTHSP90AA1
SCHEMBL18601431 0.89 KDM4E (0.56) CYSLTR2CYSLTR1KDM4EMAPTHSP90AA1
SCHEMBL2840220 0.85 KDM4E (0.59) CYSLTR2CYSLTR1KDM4EMAPTHSP90AA1
SCHEMBL2840222 0.85 KDM4E (0.59) CYSLTR2CYSLTR1KDM4EMAPTHSP90AA1
SCHEMBL2790877 0.79 KDM4E (0.65) CYSLTR2CYSLTR1KDM4EMAPTHSP90AA1

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-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed