SCHEMBL6271676

SCHEMBL6271676

O=C1[N]NN(c2ccc(C(F)(F)F)cc2)N1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CYP11B2 P19099 1/20 0.37
MPI P34949 1/20 0.36
PHOSPHO1 Q8TCT1 1/20 0.36
AKR1B1 P15121 1/20 0.36
PTGS2 P35354 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
NOTUM Q6P988 1/20 0.35
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
KIF11 P52732 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
SCHEMBL6273440 0.83 ADRB1 (0.39) CES2
SCHEMBL1827924 0.81 HTT (0.51) TDP1MPIPHOSPHO1NOTUM
SCHEMBL6269880 0.79 IGF1R (0.38) TDP1KIF11
SCHEMBL6275909 0.70 DAO (0.48) KIF11
SCHEMBL11083818 0.68 GAA (0.54) TRPV1HIF1ATDP1ATMGSK3A
SCHEMBL2999428 0.66 MGLL (0.65) TDP1ATM
SCHEMBL17537378 0.65 GSK3A (0.59) TRPV1HIF1ATDP1GSK3AGSK3B
SCHEMBL11083823 0.64 GSK3A (0.54) TRPV1TDP1ATMGSK3AGSK3B
SCHEMBL5906008 0.64 ITGA4 (0.58) TRPV1TDP1GSK3AGSK3BCYP11B2
SCHEMBL5906422 0.64 HTT (0.69) TRPV1HIF1ATDP1ATMGSK3A

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
EP-1606271-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES Bayer CropScience AG (DE) 2005-12-21 EP disclosed
WO-2004080984-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-09-23 WO disclosed