SCHEMBL7905690

SCHEMBL7905690

COc1ccc(Cc2ccc(NS(C)(=O)=O)cc2)c(F)c1-c1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPT P10636 1/20 0.38
ABCB1 P08183 1/20 0.37
NR3C1 P04150 3/20 0.37
PGR P06401 2/20 0.37
NR3C2 P08235 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
CRHBP P24387 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
ACLY P53396 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
SCHEMBL3467918 0.84 ALDH1A1 (0.43) SMN1; SMN2LMNAKDM4EALDH1A1HTT
SCHEMBL3466953 0.82 CYP19A1 (0.38) SMN1; SMN2ALDH1A1HTTMAPTGAA
SCHEMBL3466417 0.79 ALDH1A1 (0.40) SMN1; SMN2LMNAKDM4EALDH1A1HTT
SCHEMBL3466921 0.78 CNR1 (0.40) SMN1; SMN2ALDH1A1HTTMAPTMEN1
SCHEMBL7918235 0.77 ENPP1 (0.40) SMN1; SMN2LMNAKDM4EALDH1A1HPGD
SCHEMBL3467808 0.77 PPID (0.41) SMN1; SMN2LMNAKDM4EALDH1A1HTT
SCHEMBL16158918 0.76 SMN1; SMN2 (0.40) SMN1; SMN2LMNAKDM4EALDH1A1HTT
SCHEMBL3467147 0.75 ALDH1A1 (0.40) SMN1; SMN2LMNAKDM4EALDH1A1HTT
SCHEMBL3785842 0.75 HTT (0.41) SMN1; SMN2LMNAALDH1A1HTTACLY
SCHEMBL4326854 0.75 PDE4D (0.48) SMN1; SMN2KDM4EALDH1A1MAPTMEN1

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-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed