SCHEMBL19688213

SCHEMBL19688213

Cc1c(F)c(C)c(COC(=O)C2C(/C=C(\Cl)C(F)(F)F)C2(C)C)c(F)c1F

nearest known ligand 0.91

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.91
MEN1 O00255 1/20 0.91
KMT2A Q03164 1/20 0.91
LMNA P02545 2/20 0.41
ATM Q13315 2/20 0.41
ADRA2A P08913 1/20 0.41
CNR1 P21554 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL29843237 1.00 TDP1 (0.91) TDP1MEN1KMT2ALMNAATM
SCHEMBL10766508 0.97 TDP1 (0.89) TDP1MEN1KMT2ALMNAATM
SCHEMBL10766505 0.97 TDP1 (0.89) TDP1MEN1KMT2ALMNAATM
Tefluthrin SCHEMBL14427331 0.95 TDP1 (1.00) TDP1MEN1KMT2ALMNAATM
Tefluthrin SCHEMBL4622567 0.95 TDP1 (1.00) TDP1MEN1KMT2ALMNAATM
Tefluthrin SCHEMBL1898396 0.95 TDP1 (1.00) TDP1MEN1KMT2ALMNAATM
Tefluthrin SCHEMBL2740810 0.95 TDP1 (1.00) TDP1MEN1KMT2ALMNAATM
Tefluthrin SCHEMBL20823 0.95 TDP1 (1.00) TDP1MEN1KMT2ALMNAATM
Tefluthrin SCHEMBL21112033 0.95 TDP1 (1.00) TDP1MEN1KMT2ALMNAATM
Tefluthrin SCHEMBL1920781 0.95 TDP1 (1.00) TDP1MEN1KMT2ALMNAATM

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-2017208632-A1 ESTER COMPOUND AND USE THEREOF 大日本除蟲菊株式会社 2017-12-07 WO disclosed