SCHEMBL13693182

SCHEMBL13693182

Cc1ccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc([S+](C)[O-])cc2)c[n+]1[O-]

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 17/20 0.70
LMNA P02545 2/20 0.58
HTT P42858 2/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58
CCR2 P41597 1/20 0.53
SLC10A6 Q3KNW5 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
SCHEMBL343363 0.88 CCR9 (0.75) CCR9LMNAHTTTP53MAPT
SCHEMBL342238 0.88 CCR9 (0.75) CCR9LMNAHTTTP53MAPT
SCHEMBL344242 0.85 CCR9 (0.73) CCR9LMNAHTTTP53MAPT
SCHEMBL343179 0.83 CCR9 (1.00) CCR9LMNAHTTTP53MAPT
SCHEMBL15906627 0.82 CCR9 (0.78) CCR9LMNAHTTTP53MAPT
SCHEMBL343165 0.82 CCR9 (1.00) CCR9LMNAHTTTP53MAPT
SCHEMBL344537 0.81 CCR9 (0.63) CCR9LMNAHTTTP53MAPT
SCHEMBL343168 0.81 CCR9 (0.67) CCR9LMNAHTTTP53MAPT
SCHEMBL344423 0.81 CCR9 (0.72) CCR9LMNAHTTTP53MAPT
SCHEMBL10249303 0.81 CCR9 (0.65) CCR9LMNAHTTTP53MAPT

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
US-7582661-B2 Aryl sulfonamides CHEMOCENTRYX, INC. (US) 2009-09-01 US disclosed