SCHEMBL13016867

SCHEMBL13016867

CC(C)(CO)c1ccc(S(=O)(=O)Nc2ccc(N)cc2C(=O)c2ccncc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 19/20 0.61
▸ BDKRB1 P46663 1/20 0.48
▸ CCR2 P41597 1/20 0.47

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
SCHEMBL342967 0.88 CCR9 (0.78) CCR9CCR2
SCHEMBL344940 0.80 CCR9 (0.78) CCR9CCR2
SCHEMBL343310 0.78 CCR9 (0.70) CCR9CCR2
SCHEMBL343780 0.77 CCR9 (0.78) CCR9CCR2
SCHEMBL343333 0.77 CCR9 (0.82) CCR9CCR2
SCHEMBL10249468 0.76 CCR9 (1.00) CCR9CCR2
SCHEMBL344260 0.75 CCR9 (1.00) CCR9CCR2
SCHEMBL13663117 0.75 CCR9 (0.85) CCR9CCR2
SCHEMBL13017227 0.75 CCR9 (0.87) CCR9CCR2
SCHEMBL344540 0.74 CCR9 (1.00) CCR9CCR2

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-2256116-A2 Aryl sulfonamides ChemoCentryx, Inc. (US) 2010-12-01 — — EP disclosed
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