SCHEMBL4043636

SCHEMBL4043636

[NH]C(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.57
CACNA1H O95180 2/20 0.55
CACNA1B Q00975 2/20 0.55
POLB P06746 1/20 0.54
CCR1 P32246 1/20 0.54
CCR2 P41597 1/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
ACLY P53396 1/20 0.49
LIMK2 P53671 1/20 0.48
MRGPRX1 Q96LB2 1/20 0.47
HTT P42858 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
SCHEMBL2897956 0.89 CCR1 (0.60) PTGDR2CACNA1HCACNA1BPOLBCCR1
SCHEMBL3274401 0.87 POLB (0.72) PTGDR2CACNA1HCACNA1BPOLBCCR1
SCHEMBL3050790 0.82 PTPN1 (0.61) CACNA1HCACNA1BCCR1CCR2TDP1
SCHEMBL3047854 0.82 PTGDR2 (0.57) PTGDR2CACNA1HCACNA1BPOLBCCR1
SCHEMBL3148243 0.81 CCR2 (0.70) CCR1CCR2
SCHEMBL3054749 0.81 CCR1 (0.54) PTGDR2CACNA1HCACNA1BPOLBCCR1
SCHEMBL3050536 0.81 CACNA1H (0.62) CACNA1HCACNA1BCCR1CCR2TDP1
SCHEMBL8752434 0.81 FFAR1 (0.65) PTGDR2CACNA1HCACNA1BPOLBTDP1
SCHEMBL3049521 0.80 POLB (0.53) PTGDR2CACNA1HCACNA1BPOLBCCR1
SCHEMBL2901147 0.80 CACNA1H (0.51) PTGDR2CACNA1HCACNA1BPOLBCCR1

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-2076491-A1 NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Richter Gedeon NYRT (HU) 2009-07-08 EP disclosed
WO-2008068540-A1 NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2008-06-12 WO disclosed