SCHEMBL9942713

SCHEMBL9942713

CCn1ccc2c(S(=O)(=O)Nc3cc(Cl)c(Cl)cc3NS(=O)(=O)c3cccs3)cccc21

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.58
BRAF P15056 1/20 0.47
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
BRD4 O60885 1/20 0.43

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
SCHEMBL9930630 0.87 CCR2 (0.61) CCR2BRAFKDM4EMEN1ALDH1A1
SCHEMBL9942779 0.80 CCR2 (0.62) CCR2BRAFALDH1A1
SCHEMBL16747623 0.78 CCR2 (0.66) CCR2BRAFMEN1KMT2A
SCHEMBL9931224 0.77 CCR2 (0.70) CCR2BRAFMEN1KMT2A
SCHEMBL9931094 0.76 CCR2 (0.74) CCR2BRAFALDH1A1
SCHEMBL9930923 0.76 CCR2 (0.77) CCR2BRAF
SCHEMBL9930374 0.75 CCR2 (0.79) CCR2BRAFMEN1MAPTKMT2A
SCHEMBL9931076 0.75 CCR2 (0.67) CCR2BRAFALDH1A1
SCHEMBL9930952 0.75 CCR2 (0.62) CCR2BRAF
SCHEMBL9931260 0.75 CCR2 (0.73) CCR2BRAFMEN1MAPTKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651901-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-23 EP claimed
WO-2012082633-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 WO claimed
EP-2651901-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-23 EP disclosed
WO-2012082633-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 WO disclosed