SCHEMBL19254023

SCHEMBL19254023

C[C@@H](N)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 17/20 0.58
PIK3CD O00329 16/20 0.58
PIK3CB P42338 4/20 0.58
PIK3CG P48736 4/20 0.58
PIK3CA P42336 2/20 0.58
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
PNMT P11086 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL19254024 1.00 PIK3R1 (0.58) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19254025 1.00 PIK3R1 (0.58) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19252635 0.77 PIK3R1 (0.48) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19252980 0.76 PIK3CD (0.81) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251387 0.75 PIK3R1 (0.77) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19252638 0.75 PIK3R1 (0.46) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251607 0.75 PIK3CD (1.00) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19252626 0.75 PIK3CD (1.00) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL29109339 0.74 PIK3R1 (0.39) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL29109342 0.74 PIK3R1 (0.39) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA

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