SCHEMBL21523398

SCHEMBL21523398

C=Cc1ccc[n+](CCCCS(=O)(=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.44
EIF4H Q15056 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
HDAC8 Q9BY41 1/20 0.40
HDAC1 Q13547 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HDAC4 P56524 1/20 0.38
ALDH1A1 P00352 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ACHE P22303 4/20 0.35

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
SCHEMBL21523390 0.95 PABPC1 (0.49) PABPC1EIF4HCTDSP1HDAC8HDAC1
SCHEMBL29558431 0.85 KDM4E (0.41) HDAC8HDAC1KDM4EHDAC4ACHE
SCHEMBL28687693 0.85 KDM4E (0.41) HDAC8HDAC1KDM4EHDAC4ACHE
SCHEMBL21523389 0.84 PABPC1 (0.49) PABPC1EIF4HCTDSP1HDAC8KDM4E
SCHEMBL3700839 0.82 PABPC1 (0.50) PABPC1EIF4HCTDSP1KDM4EALDH1A1
SCHEMBL28674067 0.81 HDAC8 (0.41) PABPC1EIF4HCTDSP1HDAC8HDAC1
SCHEMBL29558784 0.81 HDAC8 (0.41) PABPC1EIF4HCTDSP1HDAC8HDAC1
SCHEMBL18149000 0.80 PABPC1 (0.54) PABPC1EIF4HCTDSP1HDAC8KDM4E
SCHEMBL21523397 0.77 PABPC1 (0.48) PABPC1EIF4HCTDSP1KDM4EALDH1A1
SCHEMBL3934086 0.76 NOX1 (0.46) PABPC1EIF4HCTDSP1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190330753-A1 NICKEL (ALLOY) ELECTROPLATING SOLUTION JAPAN PURE CHEMICAL CO., LTD. (JP) 2019-10-31 US claimed
US-20190330753-A1 NICKEL (ALLOY) ELECTROPLATING SOLUTION JAPAN PURE CHEMICAL CO., LTD. (JP) 2019-10-31 US disclosed