SCHEMBL22353185

SCHEMBL22353185

CC(C)(C)OC(=O)n1ccc(-c2ccc(NC(=O)Cc3ccccc3Cl)cc2SN)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNJ5 P48544 5/20 0.45
▸ KCNJ3 P48549 5/20 0.45
▸ KCNJ6 P48051 2/20 0.45
▸ ROCK2 O75116 2/20 0.43
▸ ROCK1 Q13464 2/20 0.43
▸ P2RX4 Q99571 11/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ANO1 Q5XXA6 1/20 0.41
▸ ACKR3 P25106 1/20 0.40

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
SCHEMBL19576816 0.86 P2RX4 (0.54) P2RX4
SCHEMBL20929133 0.83 KCNJ5 (0.45) KCNJ5KCNJ3KCNJ6ROCK2ROCK1
SCHEMBL24766587 0.81 KCNJ6 (0.47) KCNJ5KCNJ3KCNJ6ROCK2ROCK1
SCHEMBL22341461 0.80 KCNJ6 (0.46) KCNJ5KCNJ3KCNJ6ROCK2ROCK1
SCHEMBL22894463 0.71 CLK2 (0.46) KCNJ5KCNJ3KCNJ6ROCK2ROCK1
SCHEMBL22894360 0.71 ROCK2 (0.48) KCNJ5KCNJ3KCNJ6ROCK2ROCK1
SCHEMBL19576819 0.70 P2RX4 (0.58) KCNJ5KCNJ3KCNJ6P2RX4ALDH1A1
SCHEMBL29716818 0.70 P2RX4 (0.58) KCNJ5KCNJ3KCNJ6P2RX4ALDH1A1
SCHEMBL22353143 0.70 KCNJ5 (0.44) KCNJ5KCNJ3KCNJ6ROCK2ROCK1
SCHEMBL19576971 0.70 KCNJ5 (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-3458443-B1 AROMATIC SULFONAMIDE DERIVATIVES Bayer Pharma AG (DE) 2020-08-19 — — EP disclosed
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