SCHEMBL6899577

SCHEMBL6899577

C#CCc1c(F)c(F)c(COC(=O)C2C(C=C(Cl)Cl)C2(C)C)c(F)c1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
TDP1 Q9NUW8 4/20 0.60
MEN1 O00255 4/20 0.60
LMNA P02545 7/20 0.45
ATM Q13315 2/20 0.45
ADRA2A P08913 1/20 0.45
CNR1 P21554 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.31

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
SCHEMBL29911458 0.93 TDP1 (0.53) KMT2ATDP1MEN1LMNAATM
SCHEMBL29911502 0.92 TDP1 (0.53) KMT2ATDP1MEN1LMNAATM
SCHEMBL13810599 0.91 TDP1 (0.55) KMT2ATDP1MEN1LMNAATM
SCHEMBL13483229 0.91 TDP1 (0.55) KMT2ATDP1MEN1LMNAATM
SCHEMBL14121614 0.90 TDP1 (0.55) KMT2ATDP1MEN1LMNAATM
SCHEMBL14121616 0.90 TDP1 (0.55) KMT2ATDP1MEN1LMNAATM
Fenfluthrin SCHEMBL10608263 0.89 KMT2A (0.70) KMT2ATDP1MEN1LMNAATM
Fenfluthrin SCHEMBL73318 0.89 KMT2A (0.70) KMT2ATDP1MEN1LMNAATM
Fenfluthrin SCHEMBL9322107 0.89 KMT2A (0.70) KMT2ATDP1MEN1LMNAATM
Fenfluthrin SCHEMBL5706649 0.89 KMT2A (0.70) KMT2ATDP1MEN1LMNAATM

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-1439163-A1 PROPARGYLBENZYL ALCOHOL ESTER DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND INSECTICIDE/INSECTIFUGE CONTAINING THE SAME DAINIHON JOCHUGIKU CO., LTD. (JP) 2004-07-21 EP disclosed