SCHEMBL29109282

SCHEMBL29109282

C[C@H](N)C1=Cc2cccnc2S(=O)(=O)N1c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.31
PIK3R1 P27986 2/20 0.31
GRIA2 P42262 1/20 0.31
PDE4A P27815 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1H O95180 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
SCHEMBL30604511 1.00 PIK3CD (0.31) PIK3CDPIK3R1GRIA2PDE4AKCNH2
SCHEMBL29109283 1.00 PIK3CD (0.31) PIK3CDPIK3R1GRIA2PDE4AKCNH2
SCHEMBL30604522 0.85
SCHEMBL29109318 0.85
SCHEMBL29109321 0.85
SCHEMBL19251617 0.79 PIK3CD (0.37) PIK3CDPIK3R1CACNA1H
SCHEMBL30604516 0.79 PIK3CD (0.37) PIK3CDPIK3R1CACNA1H
SCHEMBL29109324 0.79 PIK3CD (0.37) PIK3CDPIK3R1CACNA1H
SCHEMBL30604520 0.79 PIK3CD (0.37) PIK3CDPIK3R1CACNA1H
SCHEMBL29109354 0.75 PIK3CD (0.33) PIK3CDPIK3R1

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
CN-117088867-A Inhalable aromatic ring thiazide and analogue, pharmaceutical composition containing inhalable aromatic ring thiazide and analogue and application of inhalable aromatic ring thiazide and analogue in anti-inflammatory and anti-tumor 杭州百诚医药科技股份有限公司 2023-11-21 CN disclosed