SCHEMBL9988709

SCHEMBL9988709

NS(=O)(=O)N1C[CH]CCC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
POLB P06746 1/20 0.33
USP2 O75604 1/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL4207776 0.85
SCHEMBL1065699 0.79 KMT2A (0.52) CA1CA2POLBTSHRKMT2A
SCHEMBL771276 0.79 KMT2A (0.35) CA1CA2POLBUSP2TSHR
SCHEMBL1069094 0.77 KMT2A (0.33) CA1CA2POLBTSHRKMT2A
SCHEMBL9987867 0.76 EPHX2 (0.34) CA1CA2POLBKMT2A
SCHEMBL1067872 0.74 EPHX2 (0.34) KMT2A
SCHEMBL9988905 0.74 FKBP1A (0.33)
SCHEMBL1068447 0.74 GAA (0.57) KMT2A
SCHEMBL1067874 0.71 L3MBTL1 (0.41) USP2TSHRKMT2ACYP3A4CYP2C9
SCHEMBL4790629 0.70 ALDH1A1 (0.57) POLBUSP2TSHRKMT2ACYP2C9

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