SCHEMBL19251427

SCHEMBL19251427

CCC1=Cc2cccc(Cl)c2S(=O)(=O)N1c1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
SLC6A2 P23975 1/20 0.33
MAPK14 Q16539 1/20 0.33
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
TP53 P04637 1/20 0.31
MAT2A P31153 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL19251428 0.92 MAPT (0.33) MAPT
SCHEMBL19251433 0.86 PIK3R1 (0.36) MAPT
SCHEMBL23287685 0.61 FAAH (0.36) FAAHMGLL
SCHEMBL19252635 0.60 PIK3R1 (0.48) MAPTALDH1A1
SCHEMBL12943784 0.59 PIK3CD (0.43) MAPTFAAHMGLLMAT2AALDH1A1
SCHEMBL24168172 0.58 KDM4E (0.32) MAPTALDH1A1
SCHEMBL16597050 0.56 NOTUM (0.47) MAPTSLC6A2FAAHMGLLTP53
SCHEMBL5412834 0.56 GABRA1 (0.44)
SCHEMBL91279 0.55 PNMT (0.62) ALDH1A1
SCHEMBL4058855 0.54 SLC6A2 (0.41) MAPTSLC6A2FAAHMGLLALDH1A1

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