SCHEMBL31056281

SCHEMBL31056281

CS(=O)(=O)Nc1ncc(Br)cc1C1OCCO1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.33
S100A9 P06702 1/20 0.32
NPC1 O15118 1/20 0.32
EDNRA P25101 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 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
SCHEMBL31056164 0.80 LDHA (0.38) NPC1PIK3CAGSK3AGSK3B
SCHEMBL31056238 0.80 LDHA (0.38) NPC1PIK3CAGSK3AGSK3B
SCHEMBL11968474 0.78 NSD2 (0.33)
SCHEMBL31055910 0.74 ALDH1A1 (0.44) SLC22A12
SCHEMBL31056314 0.69 HTT (0.47) NPC1
SCHEMBL18500556 0.69 NSD2 (0.32)
SCHEMBL25429102 0.69 NPC1 (0.38) NPC1PIK3CA
SCHEMBL29457415 0.69 NPC1 (0.38) NPC1PIK3CA
SCHEMBL858032 0.67 SLC22A12 (0.43) SLC22A12S100A9NPC1EDNRAPIK3CD
SCHEMBL31056423 0.67 KDM1A (0.34) SLC22A12

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed