SCHEMBL19251425

SCHEMBL19251425

CCC1=Cc2ncccc2S(=O)(=O)N1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.35
GRM4 Q14833 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
MAPT P10636 2/20 0.32
THRB P10828 2/20 0.32
GRIA2 P42262 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
PIK3CD O00329 3/20 0.31
PIK3R1 P27986 3/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
ELANE P08246 2/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL19251435 0.82 GRIA2 (0.32) GRIA2
SCHEMBL19251617 0.77 PIK3CD (0.37) GRM4SLC40A1PIK3CDPIK3R1
SCHEMBL19252679 0.75 LMNA (0.33) LMNATP53POLBELANE
SCHEMBL19252633 0.73 SLC40A1 (0.37) LMNATP53GRM4SLC40A1MAPT
SCHEMBL19251605 0.71 LMNA (0.34) LMNATP53MAPTTHRB
SCHEMBL19252631 0.66 PIK3CD (0.42) LMNATP53MAPTTHRBPIK3CD
SCHEMBL19251433 0.65 PIK3R1 (0.36) MAPTPIK3CDPIK3R1
SCHEMBL19252625 0.63 PIK3R1 (0.43) SLC40A1THRBPIK3CDPIK3R1
SCHEMBL18708825 0.63 KDM4E (0.32) ALDH1A1
SCHEMBL19251432 0.59 LMNA (0.33) LMNATP53ALDH1A1

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