SCHEMBL5548637

SCHEMBL5548637

CC(C)(C)C(=O)Nc1[c]ccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TACR1 P25103 1/20 0.38
MAPT P10636 3/20 0.38
CSNK1D P48730 1/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.36
NPY2R P49146 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DYRK1A Q13627 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL5548721 0.89 ALDH1A1 (0.45) ALDH1A1MAPTCSNK1DGAAMEN1
SCHEMBL11973806 0.87 MEN1 (0.42) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5782488 0.84 DYRK1A (0.47) L3MBTL1ALDH1A1NPSR1MEN1KMT2A
SCHEMBL5551389 0.81 RXFP1 (0.47) L3MBTL1NPSR1MAPTCSNK1DMEN1
SCHEMBL3282405 0.80 SMN1; SMN2 (0.45) ALDH1A1NPSR1MEN1KMT2AHTT
SCHEMBL5548662 0.79 SMN1; SMN2 (0.40) ALDH1A1NPSR1TACR1MAPTMEN1
SCHEMBL5551904 0.78 PTGS1 (0.49) NPSR1MAPTMEN1KMT2AHTT
SCHEMBL5551918 0.77 TP53 (0.40) L3MBTL1ALDH1A1NPSR1MAPTCSNK1D
SCHEMBL5551875 0.76 MEN1 (0.50) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5547747 0.74 KIF11 (0.38) L3MBTL1ALDH1A1MAPTKDM4E

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