SCHEMBL1815374

SCHEMBL1815374

CC(Br)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.80
ALDH1A1 P00352 4/20 0.73
GAA P10253 2/20 0.71
TP53 P04637 1/20 0.66
NPSR1 Q6W5P4 2/20 0.66
ALOX12 P18054 1/20 0.66
LMNA P02545 5/20 0.65
L3MBTL1 Q9Y468 2/20 0.64
TSHR P16473 2/20 0.62
SRPK1 Q96SB4 1/20 0.62
HTT P42858 1/20 0.62
HSD17B10 Q99714 1/20 0.61
KDM4E B2RXH2 1/20 0.61

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
SCHEMBL1806134 0.89 SMN1; SMN2 (0.80) SMN1; SMN2ALDH1A1GAATP53NPSR1
SCHEMBL1813423 0.84 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1GAANPSR1ALOX12
SCHEMBL20357282 0.83 ALDH1A1 (0.79) SMN1; SMN2ALDH1A1GAANPSR1ALOX12
SCHEMBL29636844 0.82 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1GAANPSR1ALOX12
SCHEMBL23406402 0.82 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1GAANPSR1ALOX12
SCHEMBL1811373 0.81 ALDH1A1 (0.83) SMN1; SMN2ALDH1A1GAANPSR1ALOX12
SCHEMBL12653712 0.81 CRHBP (0.71) SMN1; SMN2ALDH1A1GAATP53NPSR1
SCHEMBL11526649 0.80 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1GAATP53NPSR1
SCHEMBL12653714 0.80 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1GAATP53NPSR1
SCHEMBL30360590 0.80 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1GAATP53NPSR1

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
WO-2011061277-A1 AMINO ARYL ACETAMIDES AND THEIR USE IN THE TREATMENT OF MALARIA GLAXO GROUP LIMITED (GB) 2011-05-26 WO disclosed
WO-2011061277-A1 AMINO ARYL ACETAMIDES AND THEIR USE IN THE TREATMENT OF MALARIA GLAXO GROUP LIMITED (GB) 2011-05-26 WO disclosed