SCHEMBL1904353

SCHEMBL1904353

Fc1cccc(F)c1-c1c(Cl)nc(Br)n1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.34
HCAR1 Q9BXC0 1/20 0.33
BTK Q06187 1/20 0.33
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MAPT P10636 4/20 0.32
HTT P42858 4/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
PAX8 Q06710 1/20 0.32
TLR9 Q9NR96 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 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
SCHEMBL1074038 0.87 KDM4E (0.34) LMNAALDH1A1GAAMALT1
SCHEMBL1074331 0.78 KCNH2 (0.33) MAPTNPC1CASP3RAB9ASENP8
SCHEMBL1905559 0.77 KCNH2 (0.35) MAPT
SCHEMBL1075931 0.74 MALT1 (0.36) SMN1; SMN2ALDH1A1CYP1A2L3MBTL1MALT1
SCHEMBL1905621 0.74 TDP2 (0.38) LMNAALDH1A1GAA
SCHEMBL1074169 0.74 NPC1 (0.41) PDE2APDE10AMAPTHTTSMN1; SMN2
SCHEMBL1906802 0.72 VCP (0.34) MAPTGAAMALT1
SCHEMBL4882519 0.72 MAT2A (0.45) BTKMAPTHTTMAPK1LMNA
SCHEMBL1073301 0.72 POLB (0.41) PDE2APDE10ANPC1CASP3RAB9A
SCHEMBL1900183 0.72 KDM4E (0.35) MAPTHTTLMNASMN1; SMN2CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011056463-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-12 WO disclosed