SCHEMBL29025583

SCHEMBL29025583

FC(OC(F)(F)F)C(F)(F)Oc1cc(Cl)c(OCCCOc2ncc(C(F)(F)F)cc2Br)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30

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
SCHEMBL29025582 0.91 TDP1 (0.34) SMN1; SMN2RAB9ATDP1L3MBTL1LMNA
SCHEMBL29025581 0.83 TDP1 (0.34) SMN1; SMN2RAB9ATDP1L3MBTL1LMNA
SCHEMBL29025578 0.82 KMT2A (0.38) SMN1; SMN2L3MBTL1LMNAHPGDMAPK1
SCHEMBL29025481 0.81 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ATDP1L3MBTL1LMNA
SCHEMBL7078847 0.78 RAB9A (0.43) SMN1; SMN2RAB9ATDP1L3MBTL1LMNA
SCHEMBL7078396 0.76 RAB9A (0.43) SMN1; SMN2RAB9ATDP1L3MBTL1LMNA
SCHEMBL7070869 0.76 TDP1 (0.35) SMN1; SMN2RAB9ATDP1L3MBTL1LMNA
SCHEMBL29025584 0.74 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ATDP1L3MBTL1LMNA
SCHEMBL30732706 0.74 ALDH1A1 (0.38) SMN1; SMN2RAB9ALMNAALDH1A1HPGD
SCHEMBL7071166 0.73 TDP1 (0.35) SMN1; SMN2RAB9ATDP1L3MBTL1LMNA

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-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 claimed
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