SCHEMBL4608971

SCHEMBL4608971

FC(F)(F)Cc1c[c]c(Cl)c(-c2cc(C(F)(F)F)ccc2Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
BIRC5 O15392 2/20 0.33
MRGPRX4 Q96LA9 2/20 0.33
FFAR4 Q5NUL3 1/20 0.32
PDE2A O00408 3/20 0.32
IL2 P60568 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
EIF4E P06730 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
SCHEMBL3411258 0.84 KDM1A (0.38) KDM1ACTSSCTSKBIRC5PDE2A
SCHEMBL4608969 0.83 KDM1A (0.36) KDM1ACTSSCTSKBIRC5MRGPRX4
SCHEMBL19785385 0.74 PDE2A (0.47) KDM1ACTSSCTSKBIRC5PDE2A
SCHEMBL4608917 0.72
SCHEMBL4608916 0.69
SCHEMBL3411260 0.68 PDE2A (0.36) KDM1ACTSSCTSKBIRC5PDE2A
SCHEMBL29103370 0.67 PDE2A (0.39) KDM1ACTSSCTSKBIRC5PDE2A
SCHEMBL4439962 0.66 MEN1 (0.34) CTSSCTSKPDE2AALDH1A1MEN1
SCHEMBL4439285 0.64 PDE2A (0.39) KDM1ACTSSCTSKBIRC5PDE2A
SCHEMBL5542849 0.64 KDM1A (0.37) KDM1ACTSSCTSKFFAR4PDE2A

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-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