SCHEMBL13693202

SCHEMBL13693202

O=C(c1ccc(Cl)nc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 19/20 1.00
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL343606 0.91 CCR9 (0.83) CCR9LMNATP53MAPTHTT
SCHEMBL342212 0.86 CCR9 (0.78) CCR9LMNAHTT
SCHEMBL344126 0.85 CCR9 (0.78) CCR9LMNATP53MAPTHTT
SCHEMBL28301 0.85 CCR9 (0.74) CCR9LMNATP53MAPTHTT
SCHEMBL12474689 0.84 LMNA (0.72) CCR9LMNATP53MAPTHTT
SCHEMBL344267 0.83 CCR9 (0.80) CCR9LMNATP53MAPTHTT
SCHEMBL13016871 0.83 CCR9 (0.71) CCR9LMNATP53MAPTHTT
SCHEMBL343792 0.83 CCR9 (0.73) CCR9LMNATP53MAPTHTT
SCHEMBL11934697 0.82 CCR9 (0.70) CCR9LMNATP53MAPTHTT
SCHEMBL12359420 0.81 CCR9 (0.68) CCR9LMNATP53MAPTHTT

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