SCHEMBL16749035

SCHEMBL16749035

COC(C)(NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.61
CCR1 P32246 1/20 0.61
KCNQ1 P51787 1/20 0.61
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
LIPG Q9Y5X9 1/20 0.41
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
KCNH2 Q12809 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RCE1 Q9Y256 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL16749036 0.88 KCNE1 (0.60) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL18138315 0.84 KCNE1 (0.72) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL5315124 0.83 KCNE1 (0.66) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL19306601 0.82 KCNE1 (0.75) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL13041229 0.82 KCNE1 (0.69) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL1150993 0.82 KCNE1 (0.72) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL18832229 0.82 KCNE1 (0.60) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL1150537 0.81 KCNE1 (0.74) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL5314622 0.81 KCNE1 (0.67) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL1150738 0.81 KCNE1 (0.63) KCNE1CCR1KCNQ1MEN1KMT2A

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