SCHEMBL9521154

SCHEMBL9521154

O=c1s[c]c(C(F)(F)F)n1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.46
GSK3A P49840 7/20 0.46
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.40
NOTUM Q6P988 1/20 0.39
RGS4 P49798 1/20 0.38
RGS8 P57771 1/20 0.38
G6PD P11413 1/20 0.37
TLR9 Q9NR96 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALPL P05186 1/20 0.35

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
SCHEMBL9519526 0.73 GSK3B (0.51) GSK3BGSK3ARGS4RGS8
SCHEMBL9519955 0.66 POLB (0.43) GSK3BGSK3AGAAPOLBALDH1A1
SCHEMBL10392954 0.64 GSK3B (0.44) GSK3BGSK3AGAAPOLBALDH1A1
SCHEMBL10392953 0.64 GSK3B (0.44) GSK3BGSK3AGAAPOLBALDH1A1
SCHEMBL23642992 0.64 GSK3B (1.00) GSK3BGSK3AGAAALDH1A1MEN1
SCHEMBL9521107 0.61 GSK3B (0.41) GSK3BGSK3AGAAPOLBALDH1A1
SCHEMBL18925442 0.61 GSK3A (0.50) GSK3BGSK3AGAAALDH1A1NOTUM
SCHEMBL23642988 0.61 GSK3A (0.59) GSK3BGSK3AALDH1A1
SCHEMBL1722780 0.60 GSK3B (0.71) GSK3BGSK3AGAAALDH1A1MEN1
SCHEMBL5306506 0.60 MAPK1 (0.71) GSK3BGSK3AGAAPOLBALDH1A1

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