SCHEMBL7968176

SCHEMBL7968176

CS(=O)(=O)Nc1nc2c(N)cccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHEK1 O14757 1/20 0.42
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
GLO1 Q04760 2/20 0.38
PARP1 P09874 2/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
NOD1 Q9Y239 1/20 0.36
PARP14 Q460N5 1/20 0.36

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
SCHEMBL7486053 0.77 PKN1 (0.50) GAAMEN1MAPTKMT2ATDP1
SCHEMBL1012546 0.76 LMNA (0.59) GAAMEN1POLBMAPTKMT2A
SCHEMBL30132388 0.75 CHEK1 (0.47) GAAMEN1POLBMAPTKMT2A
SCHEMBL30002927 0.74 ALDH1A1 (0.67) GAAMAPTL3MBTL1ALDH1A1MAPK1
SCHEMBL4873251 0.74 ALDH1A1 (0.67) GAAMAPTL3MBTL1ALDH1A1MAPK1
SCHEMBL4243602 0.73 GLO1 (0.51) GAAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL10466652 0.71 L3MBTL1 (0.49) GAAMEN1POLBMAPTKMT2A
SCHEMBL2942698 0.70 L3MBTL1 (0.56) GAAMEN1POLBMAPTKMT2A
SCHEMBL7017105 0.70 ALDH1A1 (0.39) ALDH1A1MAPK1HSD17B10JAK2JAK1
SCHEMBL7479836 0.70 BCHE (0.46) GAAMEN1POLBMAPTKMT2A

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
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed