SCHEMBL16749036

SCHEMBL16749036

COC(C)(NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.60
CCR1 P32246 1/20 0.60
KCNQ1 P51787 1/20 0.60
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CALCA P06881 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
KCNH2 Q12809 1/20 0.38
CYP2C9 P11712 1/20 0.38
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38
GLA P06280 1/20 0.38
CNR1 P21554 1/20 0.37
RCE1 Q9Y256 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL16749035 0.88 KCNE1 (0.61) KCNE1CCR1KCNQ1KMT2AMEN1
SCHEMBL18138316 0.82 KCNE1 (0.67) KCNE1CCR1KCNQ1KMT2AMEN1
SCHEMBL5315124 0.81 KCNE1 (0.66) KCNE1CCR1KCNQ1KMT2AMEN1
SCHEMBL13041229 0.80 KCNE1 (0.69) KCNE1CCR1KCNQ1KMT2AMEN1
SCHEMBL18138315 0.79 KCNE1 (0.72) KCNE1CCR1KCNQ1KMT2AMEN1
SCHEMBL1150993 0.79 KCNE1 (0.72) KCNE1CCR1KCNQ1KMT2AMEN1
SCHEMBL1150537 0.79 KCNE1 (0.74) KCNE1CCR1KCNQ1KMT2AMEN1
SCHEMBL5314622 0.79 KCNE1 (0.67) KCNE1CCR1KCNQ1KMT2AMEN1
SCHEMBL19306601 0.78 KCNE1 (0.75) KCNE1CCR1KCNQ1KMT2AMEN1
SCHEMBL18832229 0.77 KCNE1 (0.60) KCNE1CCR1KCNQ1KMT2AMEN1

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
WO-2015077774-A1 INHIBITORS OF HSV NUCLEOTIDYL TRANSFERASES AND USES THEREFOR SAINT LOUIS UNIVERSITY (US) 2015-05-28 WO disclosed