SCHEMBL3411258

SCHEMBL3411258

FC(F)(F)c1c[c]c(Cl)c(-c2cc(C(F)(F)F)ccc2Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PDE2A O00408 5/20 0.37
IL2 P60568 2/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
BIRC5 O15392 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EIF4E P06730 1/20 0.34
PTPN5 P54829 1/20 0.34
MCL1 Q07820 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD11B1 P28845 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
SCHEMBL4608971 0.84 KDM1A (0.36) KDM1AALDH1A1MEN1KMT2APDE2A
SCHEMBL19785385 0.83 PDE2A (0.47) KDM1AALDH1A1MEN1KMT2APDE2A
SCHEMBL3411260 0.76 PDE2A (0.36) KDM1AALDH1A1MEN1KMT2APDE2A
SCHEMBL10468303 0.76 TMPRSS4 (0.36) MEN1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL2333762 0.75 PLAU (0.37) ALDH1A1PDE2ATSHRL3MBTL1CYP3A4
SCHEMBL29103370 0.75 PDE2A (0.39) KDM1AALDH1A1MEN1KMT2APDE2A
SCHEMBL3664940 0.74 MCL1 (0.36) ALDH1A1PDE2ACTSSCTSKL3MBTL1
SCHEMBL4439285 0.71 PDE2A (0.39) KDM1AALDH1A1MEN1KMT2APDE2A
SCHEMBL4439261 0.71 HSD11B1 (0.42) KDM1APDE2AIL2CTSSCTSK
SCHEMBL4439962 0.70 MEN1 (0.34) ALDH1A1MEN1KMT2APDE2ACTSS

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-2260032-A2 FUNGICIDAL HETERCYCLIC COMPOUNDS E. I. du Pont de Nemours and Company (US) 2010-12-15 EP disclosed
WO-2009094445-A2 FUNGICIDAL HETERCYCLIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-30 WO disclosed