SCHEMBL4439265

SCHEMBL4439265

Cc1[c]ccc(-c2cc(C(F)(F)F)ccc2Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 9/20 0.39
IL2 P60568 2/20 0.39
HSD11B1 P28845 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
KDM1A O60341 1/20 0.35
MCL1 Q07820 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NOTUM Q6P988 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL4437593 0.84 NOTUM (0.43) PDE2ANOTUMPDE10A
SCHEMBL4438085 0.82 NOTUM (0.33) NOTUM
SCHEMBL4426244 0.79 PTGDR2 (0.41)
SCHEMBL4431126 0.79 ALKBH3 (0.37)
SCHEMBL4608932 0.79 HTR2B (0.36) PDE2AHSD11B1PDE10A
SCHEMBL147631 0.77 KIF11 (0.45) CYP1A2
SCHEMBL4428497 0.76 HTT (0.35)
SCHEMBL4429675 0.76 PDE2A (0.39) PDE2AHSD11B1CTSSCTSKKDM1A
SCHEMBL693639 0.75 NOTUM (0.45) CTSSCTSKCYP1A2NOTUM
SCHEMBL143472 0.74 IKBKB (0.43) KDM1ACYP1A2NOTUM

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-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