SCHEMBL4437593

SCHEMBL4437593

Cc1[c]ccc(-c2cc(C(F)(F)F)ccc2C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
ABL1 P00519 1/20 0.38
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PDE2A O00408 2/20 0.33
LCK P06239 2/20 0.32
KDR P35968 2/20 0.32
MAPK14 Q16539 2/20 0.32
KIF11 P52732 1/20 0.32
PDE10A Q9Y233 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.31
RAF1 P04049 2/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
DDR2 Q16832 2/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL4439265 0.84 PDE2A (0.39) NOTUMPDE2APDE10A
SCHEMBL4438085 0.84 NOTUM (0.33) NOTUMKIF11TAS2R14
SCHEMBL4426244 0.82 PTGDR2 (0.41) PTGDR2MAPT
SCHEMBL27978186 0.81 NOTUM (0.39) NOTUMABL1SLC1A3SLC1A2SLC1A1
SCHEMBL147631 0.80 KIF11 (0.45) KIF11
SCHEMBL4429993 0.78 S1PR4 (0.38) ABL1TP53MAPT
SCHEMBL26375403 0.77 NOTUM (0.47) NOTUMABL1KIF11TP53MAPT
SCHEMBL143472 0.77 IKBKB (0.43) NOTUMKIF11
SCHEMBL95846 0.77 KIF11 (0.36) NOTUMPDE2AKIF11MAPT
SCHEMBL26375402 0.76 SLC1A3 (0.50) NOTUMSLC1A3SLC1A2SLC1A1RAF1

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 5 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-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO 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