SCHEMBL22894294

SCHEMBL22894294

Cc1cnn(-c2ccc(NC(=O)Cc3ccccc3Cl)cc2[S+](N)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 7/20 0.46
▸ KCNJ5 P48544 6/20 0.45
▸ KCNJ3 P48549 6/20 0.45
▸ KCNJ6 P48051 3/20 0.45
▸ 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
▸ ROCK2 O75116 2/20 0.44
▸ ROCK1 Q13464 2/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ NR2E1 Q9Y466 2/20 0.42
▸ ANO1 Q5XXA6 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
SCHEMBL22353190 0.89 KCNJ5 (0.53) P2RX4KCNJ5KCNJ3KCNJ6CLK2
SCHEMBL22894234 0.89 P2RX4 (0.46) P2RX4KCNJ5KCNJ3KCNJ6CLK2
SCHEMBL22353191 0.87 P2RX4 (0.44) P2RX4KCNJ5KCNJ3KCNJ6CLK2
SCHEMBL22894246 0.85 P2RX4 (0.43) P2RX4KCNJ5KCNJ3KCNJ6CLK2
SCHEMBL22353223 0.85 KCNJ5 (0.46) P2RX4KCNJ5KCNJ3KCNJ6CLK2
SCHEMBL22353201 0.85 KCNJ5 (0.46) P2RX4KCNJ5KCNJ3KCNJ6CLK2
SCHEMBL19576918 0.84 NPY2R (0.43) P2RX4KCNJ5KCNJ3KCNJ6CLK2
SCHEMBL22894372 0.83 P2RX4 (0.41) P2RX4KCNJ5KCNJ3KCNJ6CLK2
SCHEMBL19551947 0.83 P2RX4 (0.61) P2RX4KCNJ5KCNJ3KCNJ6ALDH1A1
SCHEMBL19577050 0.82 NR1I2 (0.46) P2RX4KCNJ5KCNJ3KCNJ6CLK2

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
Send feedback