SCHEMBL19252635

SCHEMBL19252635

CCC1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 13/20 0.48
PIK3CD O00329 12/20 0.48
PIK3CB P42338 4/20 0.46
PIK3CG P48736 4/20 0.46
PIK3CA P42336 2/20 0.46
MAPT P10636 4/20 0.32
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31
ALOX12 P18054 1/20 0.31
POLB P06746 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 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
SCHEMBL19252631 0.79 PIK3CD (0.42) PIK3R1PIK3CDMAPTMEN1ALDH1A1
SCHEMBL19254024 0.77 PIK3R1 (0.58) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251433 0.72 PIK3R1 (0.36) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251432 0.67 LMNA (0.33) ALDH1A1
SCHEMBL29109339 0.63 PIK3R1 (0.39) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL29109342 0.63 PIK3R1 (0.39) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL14627845 0.62 CA9 (0.42) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL3489693 0.58 MEN1 (0.46) MEN1ALDH1A1KMT2A
SCHEMBL21277683 0.57 ACHE (0.36) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL17088227 0.55 MEN1 (0.41) MAPTMEN1ALDH1A1HPGDKMT2A

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