SCHEMBL9010962

SCHEMBL9010962

CCC([n+]1cccc(Br)c1)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
HDAC8 Q9BY41 1/20 0.39
GGPS1 O95749 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.31

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
SCHEMBL1980407 0.77
Water SCHEMBL4146453 0.75
SCHEMBL17157330 0.72 SLC22A2 (0.38) POLBKMT2A
SCHEMBL25360569 0.71
Phosphoric Acid SCHEMBL28367097 0.71
Trifluoromethanesulfonic Acid SCHEMBL25361229 0.69
SCHEMBL3975722 0.69
Phosphoric Acid SCHEMBL28367096 0.69 GGPS1 (0.31) GGPS1
SCHEMBL9063531 0.68 TDP1 (0.41) HDAC8
SCHEMBL9011089 0.67 MEN1 (0.42) KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649918-B1 Alkaline zinc-nickel alloy plating baths ROHCO INC MCGEAN (US) 1996-11-20 EP disclosed
US-5417840-A Quaternary ammonium compound containing nitrogen heterocycle, brightness MCGEAN-ROHCO, INC. (US) 1995-05-23 US disclosed
EP-0649918-A1 Alkaline zinc-nickel alloy plating baths MCGEAN-ROHCO, INC. (US) 1995-04-26 EP disclosed