SCHEMBL29025587

SCHEMBL29025587

FC(F)(F)c1ccc(OCCCOc2c(Cl)cc(OC(F)(F)C(F)(F)Br)cc2Cl)nc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
RXRA P19793 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LIPE Q05469 3/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL29025591 0.86 KMT2A (0.41) KMT2AL3MBTL1THRBMAPK1MRGPRX4
SCHEMBL29025570 0.84 SMN1; SMN2 (0.46) KMT2AL3MBTL1THRBMAPK1MRGPRX4
SCHEMBL29025584 0.82 SMN1; SMN2 (0.43) KMT2AL3MBTL1MRGPRX4SMN1; SMN2HPGD
SCHEMBL7071031 0.82 KMT2A (0.46) KMT2AL3MBTL1THRBMAPK1MRGPRX4
SCHEMBL29025578 0.81 KMT2A (0.38) KMT2AL3MBTL1THRBMAPK1MRGPRX4
SCHEMBL29025588 0.81 KMT2A (0.41) KMT2AL3MBTL1THRBMAPK1MRGPRX4
SCHEMBL6671794 0.80 MRGPRX4 (0.49) KMT2AL3MBTL1MAPK1MRGPRX4SMN1; SMN2
SCHEMBL8341319 0.79 KMT2A (0.38) KMT2AL3MBTL1THRBMAPK1MRGPRX4
SCHEMBL8341318 0.79 KMT2A (0.38) KMT2AL3MBTL1THRBMAPK1MRGPRX4
SCHEMBL7073751 0.79 MRGPRX4 (0.47) KMT2AL3MBTL1THRBMAPK1MRGPRX4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178249-B Ether derivative with insecticidal and acaricidal activities as well as preparation method and application thereof 北京亦农生物科技有限公司 2024-02-09 CN disclosed
CN-116178249-A Ether derivative with insecticidal and acaricidal activities as well as preparation method and application thereof 北京亦农生物科技有限公司 2023-05-30 CN disclosed