SCHEMBL4429675

SCHEMBL4429675

Cc1cc[c]c(-c2cc(C(F)(F)F)ccc2Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.39
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD11B1 P28845 1/20 0.36
PTPN1 P18031 1/20 0.36
KIF11 P52732 2/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
KDM1A O60341 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL4439285 0.86 PDE2A (0.39) PDE2AMCL1ALDH1A1LMNAL3MBTL1
SCHEMBL4439151 0.84 NOTUM (0.43) PDE2AMCL1KIF11CYP1A2
SCHEMBL4429962 0.82 ALKBH3 (0.36) ALDH1A1LMNAL3MBTL1CYP1A2
SCHEMBL4429907 0.82 KIF11 (0.36) KIF11
SCHEMBL4432021 0.79 CETP (0.39) PDE2AALDH1A1L3MBTL1KIF11
SCHEMBL4607250 0.79 S1PR4 (0.36) PDE2AALDH1A1
SCHEMBL4431199 0.77 NOTUM (0.43) PDE2AMCL1HSD11B1
SCHEMBL4427280 0.76 ALDH1A1 (0.34) ALDH1A1L3MBTL1
SCHEMBL4439265 0.76 PDE2A (0.39) PDE2AMCL1HSD11B1CTSSCTSK
SCHEMBL4439316 0.76 ALKBH3 (0.34)

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