SCHEMBL22894150

SCHEMBL22894150

N[S+]([O-])c1cc(NC(=O)Cc2ccccc2Cl)ccc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ5 P48544 7/20 0.55
▸ KCNJ3 P48549 7/20 0.55
▸ KCNJ6 P48051 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ P2RX4 Q99571 9/20 0.51
▸ CLK2 P49760 1/20 0.49
▸ PRKX P51817 1/20 0.49
▸ CAMK2D Q13557 1/20 0.49
▸ PKN2 Q16513 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ STK17A Q9UEE5 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47

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
SCHEMBL32664293 0.79 KCNJ5 (0.61) KCNJ5KCNJ3KCNJ6ALDH1A1LMNA
SCHEMBL22353068 0.79 KCNJ5 (0.47) KCNJ5KCNJ3KCNJ6ALDH1A1LMNA
SCHEMBL19552065 0.79 P2RX4 (0.71) KCNJ5KCNJ3KCNJ6ALDH1A1LMNA
SCHEMBL29718827 0.79 P2RX4 (0.71) KCNJ5KCNJ3KCNJ6ALDH1A1LMNA
SCHEMBL22353212 0.78 KCNJ5 (0.49) KCNJ5KCNJ3KCNJ6P2RX4CLK2
SCHEMBL24686671 0.78 KCNJ5 (0.50) KCNJ5KCNJ3KCNJ6P2RX4CLK2
SCHEMBL24686375 0.78 P2RX4 (0.52) KCNJ5KCNJ3KCNJ6MEN1KMT2A
SCHEMBL19577034 0.78 ROCK2 (0.47) KCNJ5KCNJ3KCNJ6ALDH1A1LMNA
SCHEMBL24685908 0.77 KCNJ5 (0.61) KCNJ5KCNJ3KCNJ6ALDH1A1LMNA
SCHEMBL24687034 0.77 KCNJ5 (0.61) KCNJ5KCNJ3KCNJ6ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3763704-A1 AROMATIC SULFONAMIDE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2021-01-13 — — EP disclosed
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