SCHEMBL15054564

SCHEMBL15054564

O=S(=O)(NCC(F)(F)F)c1cnc2cc(Br)ccc2c1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
ALPL P05186 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
IDH2 P48735 3/20 0.35
PPARG P37231 3/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
GRM5 P41594 3/20 0.33
ADRA2A P08913 2/20 0.33
NPY5R Q15761 2/20 0.33
MCHR1 Q99705 2/20 0.33
PNMT P11086 1/20 0.33
PTGES O14684 2/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL15053855 0.84 SMN1; SMN2 (0.49) ALPLSLC22A12CA1CA2GLA
SCHEMBL15053983 0.81 POLB (0.43) GLASMN1; SMN2
SCHEMBL15054645 0.81 CA1 (0.44) ALPLCA1CA2GLASMN1; SMN2
SCHEMBL15054144 0.80 ALDH1A1 (0.43) ALPLSLC22A12PPARGGRM5PTGES
SCHEMBL25408105 0.80 NPY5R (0.44) ADRA2ANPY5RMCHR1
SCHEMBL15055023 0.80 LMNA (0.53) GLASMN1; SMN2
SCHEMBL15054694 0.80 GAA (0.54)
SCHEMBL15054127 0.79 PTGES (0.38) ALPLSLC22A12PPARGGRM5PTGES
SCHEMBL15054129 0.79 POLB (0.45) GLASMN1; SMN2
SCHEMBL15054085 0.76 SMN1; SMN2 (0.36) ALPLSLC22A12PPARGCA1CA2

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