SCHEMBL15054085

SCHEMBL15054085

CC(C)NS(=O)(=O)c1cnc2cc(Br)ccc2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
GSTO1 P78417 1/20 0.36
ALDH1A1 P00352 3/20 0.35
ALPL P05186 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
SLC22A12 Q96S37 1/20 0.34
PTGES O14684 2/20 0.34
PDE4B Q07343 1/20 0.34
FBP1 P09467 1/20 0.33
PPARG P37231 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL15054127 0.85 PTGES (0.38) ALPLSLC22A12PTGESFBP1PPARG
SCHEMBL15054645 0.84 CA1 (0.44) SMN1; SMN2LMNAALDH1A1ALPLCA1
SCHEMBL15054144 0.83 ALDH1A1 (0.43) SMN1; SMN2LMNAALDH1A1ALPLKDM4E
SCHEMBL15053855 0.82 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1ALPLKDM4E
SCHEMBL15053983 0.80 POLB (0.43) SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL15053744 0.79 PTGES (0.39) PTGES
SCHEMBL25406823 0.79 PPARG (0.32) SMN1; SMN2GSTO1ALDH1A1ALPLKDM4E
SCHEMBL15054633 0.79 HTT (0.47) SMN1; SMN2LMNAHTTALDH1A1KDM4E
SCHEMBL15054709 0.79 HTT (0.44) SMN1; SMN2LMNAHTTALDH1A1KDM4E
SCHEMBL30508423 0.79 HTT (0.44) SMN1; SMN2LMNAHTTALDH1A1KDM4E

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-2013096153-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 WO disclosed