SCHEMBL22406239

SCHEMBL22406239

O=C1C=CC(=O)c2cscc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 4/20 0.45
IDO1 P14902 3/20 0.45
PIN1 Q13526 2/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
AKT1 P31749 1/20 0.45
SNCA P37840 1/20 0.45
MAP2K1 Q02750 1/20 0.45
EHMT2 Q96KQ7 1/20 0.45
NSD1 Q96L73 1/20 0.45
EHMT1 Q9H9B1 1/20 0.45
S100A4 P26447 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
AURKA O14965 1/20 0.32
USP2 O75604 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
P4HB P07237 1/20 0.32

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
SCHEMBL7847601 0.83
SCHEMBL10926488 0.72 MEN1 (0.39) CDC25BMAOAMAOBS100A4KDM4E
SCHEMBL9674007 0.69 MEN1 (0.37) CDC25BMAOAMAOBMEN1ALDH1A1
SCHEMBL3678137 0.69 ESR1 (0.42) ESR1ESR2
SCHEMBL632920 0.65 ALOX15 (0.50) ALDH1A1ALOX15TDP1ESR1ESR2
SCHEMBL1498217 0.65 KDM4E (0.32) KDM4EALDH1A1MAPTHPGDRECQL
Naphthoquinone SCHEMBL4735606 0.64 CDC25B (0.70) CDC25BIDO1PIN1MAOAMAOB
Naphthoquinone SCHEMBL29354680 0.62 IDO1 (1.00) CDC25BIDO1PIN1MAOAMAOB
SCHEMBL10904924 0.62 CDC25B (0.47) CDC25BIDO1PIN1MAOAMAOB
Naphthoquinone SCHEMBL11359780 0.62 IDO1 (1.00) CDC25BIDO1PIN1MAOAMAOB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240055608-A1 High Ionic Conductivity Rechargeable Solid State Batteries With An Organic Electrode UNIVERSITY OF HOUSTON SYSTEM (US) 2024-02-15 US disclosed
US-11621420-B2 High ionic conductivity rechargeable solid state batteries with an organic electrode UNIVERSITY OF HOUSTON SYSTEM (US) 2023-04-04 US disclosed
CN-108780920-B High ionic conductivity rechargeable solid-state battery with organic electrode 休斯敦大学系统 2022-06-03 CN disclosed
US-20200295369-A1 HIGH IONIC CONDUCTIVITY RECHARGEABLE SOLID STATE BATTERIES WITH AN ORGANIC ELECTRODE UNIVERSITY OF HOUSTON SYSTEM (US) 2020-09-17 US disclosed
US-20200295369-A1 HIGH IONIC CONDUCTIVITY RECHARGEABLE SOLID STATE BATTERIES WITH AN ORGANIC ELECTRODE UNIVERSITY OF HOUSTON SYSTEM (US) 2020-09-17 US disclosed