SCHEMBL3982948

SCHEMBL3982948

NC(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2Oc2ccc(Br)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 2/20 0.53
CCR2 P41597 2/20 0.49
POLB P06746 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.48
ST14 Q9Y5Y6 3/20 0.48
F2 P00734 2/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
CCR1 P32246 1/20 0.47
CCR5 P51681 1/20 0.47
F10 P00742 1/20 0.46
CYP2C9 P11712 1/20 0.45
PARP10 Q53GL7 1/20 0.44
PLA2G7 Q13093 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 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
SCHEMBL3039982 0.90 CCR2 (0.58) MRGPRX1CCR2CCR1CCR5CYP2C9
SCHEMBL3982945 0.89 MRGPRX1 (0.50) MRGPRX1CCR2ST14F2PRSS1
SCHEMBL3054529 0.84 CCR2 (0.47) MRGPRX1CCR2PTGDR2CCR1CCR5
SCHEMBL3049477 0.83 CCR2 (0.62) MRGPRX1CCR2ST14F2PRSS1
SCHEMBL3052348 0.80 CCR2 (0.45) MRGPRX1CCR2PTGDR2CCR1CCR5
SCHEMBL3050565 0.80 CCR2 (0.64) CCR2PTGDR2CCR1CCR5ALDH1A1
SCHEMBL3274441 0.77 CCR2 (0.50) MRGPRX1CCR2PTGDR2CCR1CCR5
SCHEMBL3274401 0.77 POLB (0.72) MRGPRX1CCR2POLBPTGDR2CCR1
SCHEMBL3140026 0.76 CCR2 (0.45) MRGPRX1CCR2CYP2C9ALDH1A1KDM4E
SCHEMBL3054749 0.76 CCR1 (0.54) CCR2POLBPTGDR2CCR1CCR5

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-2057116-A1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Richter Gedeon NYRT (HU) 2009-05-13 EP disclosed
WO-2008050167-A1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2008-05-02 WO disclosed