SCHEMBL7420616

SCHEMBL7420616

COC(=O)c1ccc(C(=O)Nc2ccccc2-c2ncco2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.55
MAPT P10636 6/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
CHEK1 O14757 1/20 0.50
PIM1 P11309 1/20 0.50
MAPK8 P45983 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
NPSR1 Q6W5P4 3/20 0.49
KDM4E B2RXH2 2/20 0.49
PDE5A O76074 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 2/20 0.46
HTT P42858 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL7420400 0.80 CFTR (0.41) MAPTCHEK1ALDH1A1HSD17B10TSHR
SCHEMBL7422462 0.76 KDM4E (0.51) SIRT1MAPTKMT2ALMNAPOLB
SCHEMBL7422787 0.76 NPC1 (0.48) SIRT1MAPTKMT2ALMNAPOLB
SCHEMBL305696 0.75 CFTR (0.53) KMT2ALMNAPOLBKDM4EALDH1A1
SCHEMBL7963293 0.75 NPC1 (0.53) SIRT1MAPTKMT2ALMNAPOLB
SCHEMBL7488123 0.73 PDE5A (0.48) SIRT1MAPTKMT2ALMNAPOLB
SCHEMBL7425788 0.73 KDM4E (0.54) MAPTKMT2ALMNAPOLBMEN1
SCHEMBL7970624 0.72 TUBB4A (0.41) KDM4EALDH1A1
SCHEMBL266327 0.72 CHEK1 (0.80) MAPTKMT2ALMNAPOLBMEN1
SCHEMBL7430971 0.71 ALDH1A1 (0.68) MAPTKMT2ALMNAPOLBMEN1

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 4 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
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed