SCHEMBL4093822

SCHEMBL4093822

CCOC(=O)C(N)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
CACNA1H O95180 2/20 0.50
CACNA1B Q00975 2/20 0.50
PTGDR2 Q9Y5Y4 5/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LIMK2 P53671 1/20 0.45
CCR1 P32246 1/20 0.44
CCR2 P41597 1/20 0.44

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
SCHEMBL3045528 0.80 TDP1 (0.54) TDP1L3MBTL1CACNA1HCACNA1BPTGDR2
SCHEMBL3274401 0.79 POLB (0.72) TDP1L3MBTL1CACNA1HCACNA1BPTGDR2
SCHEMBL2897956 0.79 CCR1 (0.60) TDP1L3MBTL1CACNA1HCACNA1BPTGDR2
SCHEMBL16613203 0.78 NPC1 (0.51) TDP1KMT2ALMNAHTTNPC1
Hydrochloric Acid SCHEMBL16597575 0.77 NPC1 (0.50) TDP1KMT2ALMNAHTTNPC1
SCHEMBL3049525 0.77 CACNA1H (0.56) TDP1L3MBTL1CACNA1HCACNA1BPTGDR2
SCHEMBL4043636 0.77 PTGDR2 (0.57) TDP1L3MBTL1CACNA1HCACNA1BPTGDR2
SCHEMBL8752434 0.76 FFAR1 (0.65) TDP1L3MBTL1CACNA1HCACNA1BPTGDR2
SCHEMBL3757218 0.76 POLB (0.55) TDP1L3MBTL1CACNA1HCACNA1BPTGDR2
SCHEMBL3752373 0.75 CACNA1H (0.49) TDP1L3MBTL1CACNA1HCACNA1BPTGDR2

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