Potassium Ion

Potassium Ion

SCHEMBL11522100

CC(=O)SCC(=O)Nc1cccc(S(=O)(=O)[O-])c1.[K+]

nearest known ligand 0.49

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Known targets — ChEMBL curated mechanism

AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA

The experimentally established mechanism targets of Potassium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 2/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
HSD17B10 Q99714 1/20 0.45
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

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
Potassium SCHEMBL11522106 0.85 CASR (0.51) ALDH1A1MAPTKMT2ACA1CA2
SCHEMBL11522095 0.85 CASR (0.51) ALDH1A1MAPTKMT2ACA1CA2
Potassium Ion SCHEMBL11519125 0.85 ALDH1A1 (0.49) ALDH1A1MAPTKMT2ACA1CA2
SCHEMBL29466714 0.81 CA1 (0.55) ALDH1A1MAPTKMT2ACA1CA2
Potassium Ion SCHEMBL11516871 0.79 CA1 (0.52) ALDH1A1MAPTKMT2ACA1CA2
SCHEMBL3022742 0.77 PKM (0.56) ALDH1A1SMN1; SMN2HSD17B10
Potassium Ion SCHEMBL9864416 0.76 CA1 (0.57) MAPTKMT2ACA1CA2MEN1
SCHEMBL11519255 0.75 ALDH1A1 (0.50) ALDH1A1CA1CA2L3MBTL1HDAC3
SCHEMBL11519123 0.73 ALDH1A1 (0.49) ALDH1A1CA1CA2L3MBTL1HDAC3
SCHEMBL11521462 0.73 RAB9A (0.65) ALDH1A1MAPTKMT2ALMNAL3MBTL1

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-4178301-A 4-(2-(ACETYLTHIO)ACETAMIDO)BENZOIC ACID AS MUCOLYTIC AGENT MEAD JOHNSON & COMPANY (US) 1979-12-11 US disclosed
US-4132802-A LIQUEFACTION OF MUCUS MEAD JOHNSON & COMPANY (US) 1979-01-02 US disclosed
US-4096277-A Mucolytic mercaptoacylamidobenzamides and process of using same MEAD JOHNSON & COMPANY (US) 1978-06-20 US disclosed
US-4005222-A Mucolytic mercaptoacylamidobenzoic and benzenesulfonic acid compounds and process MEAD JOHNSON & COMPANY (US) 1977-01-25 US disclosed