SCHEMBL22353046

SCHEMBL22353046

COc1nc(-c2ccc(NC(=O)Cc3ccccc3Cl)cc2[S+](N)[O-])cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.48
▸ ROCK1 Q13464 2/20 0.48
▸ CLK2 P49760 1/20 0.45
▸ PRKX P51817 1/20 0.45
▸ CAMK2D Q13557 1/20 0.45
▸ PKN2 Q16513 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45
▸ STK17A Q9UEE5 1/20 0.45
▸ KCNJ5 P48544 4/20 0.43
▸ KCNJ3 P48549 4/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KCNJ6 P48051 1/20 0.43
▸ P2RX4 Q99571 5/20 0.42
▸ CSNK1D P48730 1/20 0.42
▸ MAPK8 P45983 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ ANO1 Q5XXA6 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL22353144 0.89 NPC1 (0.48) ROCK2ROCK1CLK2PRKXCAMK2D
SCHEMBL19577054 0.84 CLK2 (0.44) ROCK2ROCK1CLK2PRKXCAMK2D
SCHEMBL29716866 0.83 P2RX4 (0.57) P2RX4
SCHEMBL19576962 0.83 P2RX4 (0.57) P2RX4
SCHEMBL22353216 0.83 ROCK2 (0.50) ROCK2ROCK1CLK2PRKXCAMK2D
SCHEMBL22353212 0.78 KCNJ5 (0.49) ROCK2ROCK1CLK2PRKXCAMK2D
SCHEMBL19577035 0.78 ROCK2 (0.57) ROCK2ROCK1CLK2PRKXCAMK2D
SCHEMBL22353164 0.77 KCNJ5 (0.49) ROCK2ROCK1CLK2PRKXCAMK2D
SCHEMBL19576914 0.77 ROCK2 (0.46) ROCK2ROCK1CLK2PRKXCAMK2D
SCHEMBL22894150 0.74 KCNJ5 (0.55) CLK2PRKXCAMK2DPKN2CLK4

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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