SCHEMBL4439151

SCHEMBL4439151

Cc1cc[c]c(-c2cc(C(F)(F)F)ccc2C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
KIF11 P52732 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.33
PDE2A O00408 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
GPR3 P46089 1/20 0.33
MCL1 Q07820 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.31
ABL1 P00519 1/20 0.31
NFE2L2 Q16236 1/20 0.31
CYP1A2 P05177 1/20 0.31
JAK2 O60674 1/20 0.31
NFKBIA P25963 1/20 0.30
RELA Q04206 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
SCHEMBL4431199 0.86 NOTUM (0.43) NOTUMPTGDR2PDE2AMCL1
SCHEMBL4429675 0.84 PDE2A (0.39) KIF11PDE2AMCL1CYP1A2
SCHEMBL4429907 0.84 KIF11 (0.36) NOTUMKIF11GPR3CYP1A1CYP1B1
SCHEMBL4432021 0.82 CETP (0.39) KIF11PTGDR2PDE2APDE10A
SCHEMBL4553496 0.81 ALDH1A1 (0.39) RAPGEF4CYP1A2
SCHEMBL10689602 0.78 KIF11 (0.39) KIF11CYP1A1CYP1B1CYP1A2
SCHEMBL4439277 0.75 ALDH1A1 (0.36) RAPGEF4
SCHEMBL4440097 0.75 IDO1 (0.39) NOTUMRAPGEF4JAK2
SCHEMBL8327759 0.74 IKBKB (0.41) NOTUMRAPGEF4NFE2L2CYP1A2
SCHEMBL4437593 0.74 NOTUM (0.43) NOTUMKIF11PTGDR2PDE2APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed