SCHEMBL4557407

SCHEMBL4557407

CC(C)(C)c1c(OC(F)F)ccc(OC(N)=O)c1Br

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ALOX15 P16050 1/20 0.33
GFER P55789 1/20 0.33
ADAM17 P78536 1/20 0.33
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
NCEH1 Q6PIU2 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
NR1I2 O75469 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL31265678 0.70 NR1H4 (0.30)
SCHEMBL31616743 0.69 NCEH1 (0.36) PTGDR2MEN1KMT2ANCEH1
SCHEMBL31345640 0.68 CES2 (0.36) HTTMEN1KMT2ALMNAMAPT
SCHEMBL28627336 0.68 KIF11 (0.33) HTTMEN1KMT2ALMNAMAPK1
SCHEMBL27947755 0.67 PTGDR2 (0.40) KDM4EPTGDR2MEN1KMT2ASMN1; SMN2
SCHEMBL18475447 0.67 ALOX12 (0.40) L3MBTL1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL28522616 0.67 POLB (0.33) PTGDR2MEN1KMT2AMAPT
SCHEMBL31265698 0.67 POLB (0.33) MEN1KMT2AMAPT
SCHEMBL29177192 0.67 KMT2A (0.34) L3MBTL1ALOX15GFERADAM17HTT
SCHEMBL28913028 0.67 PTGDR2 (0.30) PTGDR2

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-2009144632-A1 NOVEL COMPOUNDS PFIZER LIMITED (GB) 2009-12-03 WO disclosed