SCHEMBL5547747

SCHEMBL5547747

CNc1[c]ccc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.38
IDH2 P48735 1/20 0.38
PDE2A O00408 2/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
MAT2A P31153 4/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CFTR P13569 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
MAPT P10636 1/20 0.31
PTPN5 P54829 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL5782488 0.77 DYRK1A (0.47) KIF11L3MBTL1ALDH1A1PTPN5
SCHEMBL2035839 0.77 KIF11 (0.47) KIF11MAPK1MAPT
SCHEMBL5548637 0.74 L3MBTL1 (0.42) KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL3285417 0.73 RIPK1 (0.39) KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL3282405 0.73 SMN1; SMN2 (0.45) PDE2ATSHRMAPK1KDM4EALDH1A1
SCHEMBL5548721 0.73 ALDH1A1 (0.45) KDM4EHPGDALDH1A1MAPT
SCHEMBL11973806 0.73 MEN1 (0.42) L3MBTL1ALDH1A1MAPTPTPN5
SCHEMBL4599434 0.72
SCHEMBL95846 0.72 KIF11 (0.36) KIF11PDE2ATSHRMAPK1RAPGEF4
SCHEMBL5548662 0.72 SMN1; SMN2 (0.40) PDE2AKDM4EALDH1A1MAPT

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-1780211-A2 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-05-02 EP disclosed
EP-1775295-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-04-18 EP disclosed