SCHEMBL6204096

SCHEMBL6204096

COC([O])c1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
ALDH1A1 P00352 4/20 0.35
GAA P10253 1/20 0.35
ACHE P22303 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BCHE P06276 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
NFE2L2 Q16236 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 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
SCHEMBL6203793 0.77 CES2 (0.31) CES2CES1
SCHEMBL6204869 0.76 MEN1 (0.41) CES2CES1ALDH1A1GAAACHE
SCHEMBL16892295 0.74 CES2 (0.36) CES2CES1ALDH1A1GAAACHE
SCHEMBL18242776 0.73 CES2 (0.43) CES2CES1ALDH1A1GAAACHE
SCHEMBL6769767 0.73 CA1 (0.32) CES2CES1CA1CA2CA7
SCHEMBL6204097 0.73 CES2 (0.44) CES2CES1ALDH1A1GAAACHE
SCHEMBL9164819 0.72 CES2 (0.36) CES2CES1ALDH1A1GAAKMT2A
SCHEMBL9164822 0.72 CES2 (0.36) CES2CES1ALDH1A1GAAKMT2A
SCHEMBL500769 0.72 CES2 (0.32) CES2CES1
SCHEMBL31039433 0.72 CES2 (0.32) CES2CES1

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-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed