SCHEMBL22894354

SCHEMBL22894354

Cn1c(C#N)ccc1-c1ccc(NC(=O)Cc2ccccc2Cl)cc1[S+](N)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNJ5 P48544 6/20 0.44
▸ KCNJ3 P48549 6/20 0.44
▸ KCNJ6 P48051 3/20 0.44
▸ PGR P06401 2/20 0.42
▸ ROCK2 O75116 3/20 0.41
▸ ROCK1 Q13464 2/20 0.41
▸ AR P10275 1/20 0.41
▸ ANO1 Q5XXA6 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ CLK2 P49760 1/20 0.39
▸ PRKX P51817 1/20 0.39
▸ CAMK2D Q13557 1/20 0.39
▸ PKN2 Q16513 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ STK17A Q9UEE5 1/20 0.39
▸ P2RX4 Q99571 3/20 0.39

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
SCHEMBL22353143 0.84 KCNJ5 (0.44) KCNJ5KCNJ3KCNJ6PGRROCK2
SCHEMBL19552082 0.83 P2RX4 (0.55) KCNJ5KCNJ3KCNJ6ALDH1A1LMNA
SCHEMBL29716936 0.83 P2RX4 (0.55) KCNJ5KCNJ3KCNJ6ALDH1A1LMNA
SCHEMBL22353153 0.78 ROCK2 (0.45) KCNJ5KCNJ3KCNJ6ROCK2ROCK1
SCHEMBL22353142 0.77 KCNJ5 (0.49) KCNJ5KCNJ3KCNJ6PGRALDH1A1
SCHEMBL19552117 0.76 KCNJ5 (0.48) KCNJ5KCNJ3KCNJ6ALDH1A1LMNA
SCHEMBL19551492 0.76 KCNJ5 (0.48) KCNJ5KCNJ3KCNJ6ALDH1A1LMNA
SCHEMBL22894150 0.75 KCNJ5 (0.55) KCNJ5KCNJ3KCNJ6ALDH1A1LMNA
SCHEMBL22353212 0.73 KCNJ5 (0.49) KCNJ5KCNJ3KCNJ6ROCK2ROCK1
SCHEMBL22353144 0.73 NPC1 (0.48) KCNJ5KCNJ3KCNJ6ROCK2ROCK1

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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