SCHEMBL4608969

SCHEMBL4608969

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
PDE2A O00408 2/20 0.32
IL2 P60568 1/20 0.32
KCNH2 Q12809 4/20 0.32
TMEM97 Q5BJF2 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
CCR2 P41597 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
HTR2A P28223 2/20 0.32
SLC6A4 P31645 2/20 0.32

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
SCHEMBL4608971 0.83 KDM1A (0.36) KDM1ACTSSCTSKALDH1A1MRGPRX4
SCHEMBL4608916 0.75
SCHEMBL6785539 0.71 BIRC5 (0.38) KDM1ACTSSCTSKALDH1A1MAPT
SCHEMBL19785385 0.71 PDE2A (0.47) KDM1ACTSSCTSKALDH1A1PDE2A
SCHEMBL4608917 0.69
SCHEMBL3411258 0.68 KDM1A (0.38) KDM1ACTSSCTSKALDH1A1PDE2A
SCHEMBL3411260 0.65 PDE2A (0.36) KDM1ACTSSCTSKALDH1A1PDE2A
SCHEMBL27738563 0.64 IDO1 (0.52) KCNH2TMEM97CYP1A2CYP3A4CYP2C19
SCHEMBL5542849 0.64 KDM1A (0.37) KDM1ACTSSCTSKALDH1A1FFAR4
SCHEMBL29103370 0.64 PDE2A (0.39) KDM1ACTSSCTSKALDH1A1PDE2A

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