SCHEMBL9520206

SCHEMBL9520206

O=c1scc(C(F)(F)F)n1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.51
GSK3A P49840 4/20 0.51
RGS4 P49798 5/20 0.45
RGS8 P57771 5/20 0.45
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
PRKCA P17252 2/20 0.42
P2RX4 Q99571 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
ELANE P08246 1/20 0.39
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39

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
SCHEMBL23749771 0.81 LMNA (0.47) GSK3BGSK3ARGS4RGS8KDM4E
SCHEMBL23727735 0.77 L3MBTL1 (0.39) GSK3BGSK3ARGS4RGS8KDM4E
SCHEMBL23727737 0.77 L3MBTL1 (0.39) GSK3BGSK3ARGS4RGS8KDM4E
SCHEMBL5292567 0.73 GSK3B (0.55) GSK3BGSK3ARGS4RGS8KDM4E
SCHEMBL9519526 0.71 GSK3B (0.51) GSK3BGSK3ARGS4RGS8KDM4E
SCHEMBL23749770 0.70 ALDH1A1 (0.45) GSK3BKDM4EPKML3MBTL1LMNA
SCHEMBL29115280 0.70 HPGD (0.60) GSK3BGSK3ARGS4RGS8KDM4E
SCHEMBL2573713 0.70 L3MBTL1 (0.45) GSK3BGSK3ARGS4RGS8KDM4E
SCHEMBL9868147 0.69 KDM4E (0.49) GSK3BGSK3ARGS4RGS8KDM4E
SCHEMBL9868143 0.69 L3MBTL1 (0.53) GSK3BGSK3ARGS4RGS8KDM4E

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-0300898-B1 PYRETHRINOID DERIVATIVES CONTAINING AN N-HETEROCYCLE, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS PESTICIDES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-03-10 EP disclosed