SCHEMBL2168696

SCHEMBL2168696

O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 17/20 0.74
LMNA P02545 2/20 0.58
HTT P42858 2/20 0.58
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
SLC10A6 Q3KNW5 1/20 0.53
CCR2 P41597 1/20 0.53

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
SCHEMBL344936 0.90 CCR9 (0.86) CCR9LMNAHTTTP53MAPT
SCHEMBL28160 0.89 LMNA (0.73) CCR9LMNAHTTTP53MAPT
SCHEMBL13850920 0.88 CCR9 (0.72) CCR9LMNAHTTTP53MAPT
SCHEMBL342185 0.85 CCR9 (0.79) CCR9LMNAHTTTP53MAPT
SCHEMBL344098 0.85 CCR9 (1.00) CCR9LMNAHTTTP53MAPT
SCHEMBL343170 0.85 CCR9 (1.00) CCR9LMNAHTTTP53MAPT
SCHEMBL2169219 0.85 CCR9 (1.00) CCR9LMNAHTTTP53MAPT
SCHEMBL15761703 0.85 CCR9 (0.79) CCR9LMNAHTTTP53MAPT
SCHEMBL2168505 0.84 CCR9 (1.00) CCR9LMNAHTTTP53MAPT
SCHEMBL27309 0.83 CCR9 (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1798223-B2 Aryl sulfonamides CHEMOCENTRYX INC (US) 2014-07-30 EP claimed
EP-1798223-B1 Aryl sulfonamides CHEMOCENTRYX INC (US) 2011-07-20 EP claimed