SCHEMBL22353201

SCHEMBL22353201

N[S+]([O-])c1cc(NC(=O)Cc2ccccc2Cl)ccc1-n1cc(NCC(F)(F)F)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ5 P48544 7/20 0.46
▸ KCNJ3 P48549 7/20 0.46
▸ KCNJ6 P48051 3/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ PRKX P51817 1/20 0.41
▸ CAMK2D Q13557 1/20 0.41
▸ PKN2 Q16513 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ STK17A Q9UEE5 1/20 0.41
▸ NR2E1 Q9Y466 3/20 0.41
▸ P2RX4 Q99571 4/20 0.41
▸ NR1I2 O75469 1/20 0.40
▸ ROCK2 O75116 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ RORA P35398 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ANO1 Q5XXA6 2/20 0.38

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
SCHEMBL22353223 0.88 KCNJ5 (0.46) KCNJ5KCNJ3KCNJ6CLK2PRKX
SCHEMBL22353190 0.85 KCNJ5 (0.53) KCNJ5KCNJ3KCNJ6CLK2PRKX
SCHEMBL22894294 0.85 P2RX4 (0.46) KCNJ5KCNJ3KCNJ6CLK2PRKX
SCHEMBL29717058 0.84 P2RX4 (0.54) P2RX4
SCHEMBL19552636 0.84 P2RX4 (0.54) P2RX4
SCHEMBL22894246 0.84 P2RX4 (0.43) KCNJ5KCNJ3KCNJ6CLK2PRKX
SCHEMBL22353191 0.84 P2RX4 (0.44) KCNJ5KCNJ3KCNJ6CLK2PRKX
SCHEMBL22894234 0.82 P2RX4 (0.46) KCNJ5KCNJ3KCNJ6CLK2PRKX
SCHEMBL19576918 0.80 NPY2R (0.43) KCNJ5KCNJ3KCNJ6CLK2PRKX
SCHEMBL22353131 0.79 NR2E1 (0.48) KCNJ5KCNJ3NR2E1P2RX4ANO1

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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