SCHEMBL9987692

SCHEMBL9987692

O=S(=O)(C1CC1)N1C[CH]CC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
GRM5 P41594 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
SCHEMBL9987867 0.87 EPHX2 (0.34) EPHX2
SCHEMBL1380380 0.86 EPHX2 (0.38) EPHX2GRM5
SCHEMBL21827627 0.80 EPHX2 (0.32) EPHX2
SCHEMBL20535845 0.77 ABL1 (0.38) EPHX2
SCHEMBL4207776 0.73
SCHEMBL4193315 0.72 SMYD3 (0.39)
SCHEMBL4196480 0.72 LMNA (0.48) EPHX2
SCHEMBL667021 0.71
SCHEMBL20535521 0.71 CA12 (0.34)
SCHEMBL17187735 0.71

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-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed