SCHEMBL19576470

SCHEMBL19576470

CCc1ccccc1CC(=O)Nc1ccc(Br)c(S(N)(=O)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ KCNJ6 P48051 1/20 0.56
▸ KCNJ5 P48544 1/20 0.56
▸ KCNJ3 P48549 1/20 0.56
▸ P2RX4 Q99571 17/20 0.54
▸ GSTO1 P78417 1/20 0.49

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
SCHEMBL29718827 0.86 P2RX4 (0.71) KCNJ6KCNJ5KCNJ3P2RX4
SCHEMBL19552065 0.86 P2RX4 (0.71) KCNJ6KCNJ5KCNJ3P2RX4
SCHEMBL24766678 0.86 P2RX4 (0.62) CA12CA1CA2CA9KCNJ6
SCHEMBL19576993 0.80 P2RX4 (0.49) CA12CA1CA2CA9KCNJ6
SCHEMBL19576956 0.79 P2RX4 (0.49) KCNJ6KCNJ5KCNJ3P2RX4
SCHEMBL19576510 0.78 P2RX4 (0.46) KCNJ6KCNJ5KCNJ3P2RX4
SCHEMBL19576804 0.78 KCNJ5 (0.62) KCNJ6KCNJ5KCNJ3P2RX4
SCHEMBL19576513 0.77 P2RX4 (0.44) KCNJ6KCNJ5KCNJ3P2RX4
SCHEMBL19576503 0.77 P2RX4 (0.49) KCNJ6KCNJ5KCNJ3P2RX4
SCHEMBL19575900 0.77 P2RX4 (0.46) KCNJ6KCNJ5KCNJ3P2RX4

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 2 patents. 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
WO-2017191000-A1 AROMATIC SULFONAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-09 — — WO disclosed
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