SCHEMBL23690704

SCHEMBL23690704

CN(C)C(=O)CCSC(=S)Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.46
ALDH1A1 P00352 6/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
EPHX1 P07099 1/20 0.41
CYP2C19 P33261 1/20 0.40

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
SCHEMBL21578077 0.86 GLA (0.44) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2705065 0.83 PHGDH (0.53) PHGDHALDH1A1NPSR1HDAC3HDAC4
SCHEMBL4437686 0.77 ALDH1A1 (0.43) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL27267591 0.76 PHGDH (0.57) PHGDHALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL21578148 0.75 FAAH (0.53) PHGDHALDH1A1SMN1; SMN2HSD17B10
SCHEMBL23690530 0.75 KMT2A (0.43) PHGDHALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL29275458 0.74 L3MBTL1 (0.61) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2702341 0.73 PHGDH (0.57) PHGDHALDH1A1HDAC3HDAC4HDAC1
SCHEMBL3723780 0.72 PHGDH (0.61) PHGDHALDH1A1HDAC3HDAC4HDAC1
SCHEMBL31122194 0.72 ALDH1A1 (0.59) PHGDHALDH1A1NPSR1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11575156-B2 Diselenoester electrolyte additives for fast charging lithium ion batteries StoreDot Ltd. (IL) 2023-02-07 US disclosed
US-20210242497-A1 DISELENOESTER ELECTROLYTE ADDITIVES FOR FAST CHARGING LITHIUM ION BATTERIES StoreDot Ltd. (IL) 2021-08-05 US disclosed
US-20210242500-A1 ELECTROLYTES FOR FAST CHARGING LITHIUM ION BATTERIES HAVING FOUR-CARBON CHAIN ESTERS AS LINEAR COMPONENTS StoreDot Ltd. (IL) 2021-08-05 US disclosed
US-20210234197-A1 ELECTROLYTE ADDITIVES FOR FAST CHARGING LITHIUM ION BATTERIES StoreDot Ltd. (IL) 2021-07-29 US disclosed