SCHEMBL29558784

SCHEMBL29558784

C=Cc1ccc[n+](CCCS(=O)(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HDAC1 Q13547 2/20 0.37
HDAC4 P56524 1/20 0.36
ACHE P22303 5/20 0.35
TDP1 Q9NUW8 1/20 0.35
PABPC1 P11940 1/20 0.33
EIF4H Q15056 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL28674067 1.00 HDAC8 (0.41) HDAC8KDM4EHDAC1HDAC4ACHE
SCHEMBL29558431 0.95 KDM4E (0.41) HDAC8KDM4EHDAC1HDAC4ACHE
SCHEMBL28687693 0.95 KDM4E (0.41) HDAC8KDM4EHDAC1HDAC4ACHE
SCHEMBL21523390 0.85 PABPC1 (0.49) HDAC8KDM4EHDAC1HDAC4PABPC1
SCHEMBL1560475 0.84 TDP1 (0.43) HDAC8ACHETDP1PABPC1EIF4H
Water SCHEMBL1913462 0.83 TDP1 (0.42) HDAC8ACHETDP1PABPC1EIF4H
SCHEMBL21523398 0.81 PABPC1 (0.44) HDAC8KDM4EHDAC1HDAC4ACHE
SCHEMBL1560454 0.80 TDP1 (0.42) HDAC8KDM4EACHETDP1PABPC1
Water SCHEMBL8976375 0.78 TDP1 (0.41) HDAC8KDM4EACHETDP1PABPC1
SCHEMBL9172343 0.76 PABPC1 (0.45) KDM4EPABPC1

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
CN-114262917-A Electrolytic nickel (alloy) plating solution 日本高纯度化学株式会社 2022-04-01 CN claimed
CN-114262917-A Electrolytic nickel (alloy) plating solution 日本高纯度化学株式会社 2022-04-01 CN disclosed