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SCHEMBL9968044

SCHEMBL9968044

Nc1cccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NS(=O)(=O)c2cccs2)c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 15/20 0.73
▸ PKM P14618 1/20 0.53
▸ BRAF P15056 1/20 0.53
▸ POLB P06746 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 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
SCHEMBL19406113 0.88 CCR2 (0.73) CCR2PKMBRAFMEN1KMT2A
SCHEMBL9930917 0.87 CCR2 (0.76) CCR2PKMBRAFMEN1LMNA
SCHEMBL9930692 0.85 CCR2 (0.78) CCR2PKMBRAFMEN1LMNA
SCHEMBL9930779 0.85 CCR2 (0.73) CCR2PKMBRAF
SCHEMBL9931058 0.85 CCR2 (0.77) CCR2PKMBRAFMEN1LMNA
SCHEMBL9930868 0.85 CCR2 (0.73) CCR2PKMBRAFMEN1KMT2A
SCHEMBL9931071 0.84 CCR2 (0.68) CCR2MEN1KMT2A
SCHEMBL28231611 0.84 CCR2 (0.68) CCR2PKMBRAFMEN1LMNA
SCHEMBL9930749 0.84 CCR2 (1.00) CCR2PKMBRAFMEN1LMNA
SCHEMBL9931955 0.84 CCR2 (0.71) CCR2PKMBRAFMEN1LMNA

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
WO-2012082633-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 — — WO disclosed