SCHEMBL19251618

SCHEMBL19251618

CC(NC1CCCCCCC1)C1=Cc2ccncc2S(=O)(=O)N1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.34
GFER P55789 1/20 0.34
EPHX1 P07099 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
HTT P42858 3/20 0.32
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
PARP1 P09874 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
POLB P06746 1/20 0.31
P2RX7 Q99572 1/20 0.31
PIK3CD O00329 1/20 0.31

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
SCHEMBL19251615 0.82 PIK3CD (0.33) PIK3CDPIK3R1
SCHEMBL29109311 0.82 PIK3CD (0.33) PIK3CDPIK3R1
SCHEMBL29109354 0.72 PIK3CD (0.33) PIK3CDPIK3R1
SCHEMBL29109355 0.72 PIK3CD (0.33) PIK3CDPIK3R1
SCHEMBL19252679 0.71 LMNA (0.33) LMNAPOLB
SCHEMBL19252974 0.70 PIK3CD (0.63) PIK3CDPIK3R1
SCHEMBL29109336 0.68
SCHEMBL29109337 0.68
SCHEMBL3671016 0.63 GAA (0.96) GAAL3MBTL1EPHX1LMNANPSR1
SCHEMBL21104687 0.63 GAA (0.96) GAAL3MBTL1EPHX1LMNANPSR1

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-2017133655-A1 BENZOTHIAZINE AND BENZOTHIADIAZINE COMPOUNDS AND PREPARATION AND USE 浙江大学 2017-08-10 WO disclosed