SCHEMBL806779

SCHEMBL806779

COc1ncc(Br)cc1S(=O)(=O)NCC1CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.44
CNR1 P21554 6/20 0.44
ADRA2A P08913 2/20 0.40
NPY5R Q15761 2/20 0.40
MCHR1 Q99705 2/20 0.40
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
GBA1 P04062 1/20 0.38
SHMT2 P34897 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38

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
SCHEMBL14317987 0.95 PI4KB (0.42) CNR2CNR1ADRA2ANPY5RMCHR1
SCHEMBL14305923 0.82 SMN1; SMN2 (0.57) GLASMN1; SMN2MEN1POLBKMT2A
SCHEMBL9955406 0.80 GLA (0.42) GLASMN1; SMN2MEN1POLBKMT2A
SCHEMBL9954020 0.80 PIK3C3 (0.49) SMN1; SMN2MEN1POLBKMT2APIK3C3
SCHEMBL10289140 0.79 KMT2A (0.44) GLASMN1; SMN2MEN1KMT2ASHMT2
SCHEMBL9953570 0.79 LMNA (0.55) SMN1; SMN2POLBKMT2A
SCHEMBL10289139 0.78 GAA (0.55) GLASMN1; SMN2MEN1POLBKMT2A
SCHEMBL9954303 0.78 PLA2G1B (0.41) GLASMN1; SMN2MEN1POLBKMT2A
SCHEMBL9954686 0.78 PIK3C3 (0.53) SMN1; SMN2MEN1POLBKMT2APIK3C3
SCHEMBL14305926 0.78 PIK3C3 (0.55) SMN1; SMN2MEN1POLBKMT2APIK3C3

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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed