SCHEMBL7474778

SCHEMBL7474778

CCOC(=O)c1cccc2[nH]c(CN3C(=O)c4ccccc4C3=O)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PARP1 P09874 2/20 0.45
CHEK1 O14757 2/20 0.45
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PIM1 P11309 1/20 0.44
CLK2 P49760 1/20 0.44
MAP4K2 Q12851 1/20 0.44
CAMK2D Q13557 1/20 0.44
DYRK1A Q13627 1/20 0.44
PIM3 Q86V86 1/20 0.44
AURKB Q96GD4 1/20 0.44
PRKD2 Q9BZL6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
STK17A Q9UEE5 1/20 0.44
MAP4K5 Q9Y4K4 1/20 0.44
GAA P10253 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL7485575 0.79 CHEK1 (0.52) ALDH1A1MAPTPARP1CHEK1PRKD3
SCHEMBL6310572 0.78 PARP1 (0.49) ALDH1A1MAPTPARP1CHEK1PRKD3
SCHEMBL7964166 0.78 PARP1 (0.52) ALDH1A1MAPTPARP1CHEK1PRKD3
SCHEMBL7477386 0.77 HPGD (0.51) ALDH1A1PARP1CHEK1PRKD3MAP4K4
SCHEMBL6942886 0.77 PARP1 (0.48) MAPTPARP1CHEK1PRKD3MAP4K4
SCHEMBL7486198 0.77 PARP1 (0.50) ALDH1A1MAPTPARP1CHEK1PRKD3
SCHEMBL7479209 0.76 MEN1 (0.44) ALDH1A1MAPTNPSR1GAAKDM4E
SCHEMBL6170661 0.76 PARP1 (0.64) ALDH1A1PARP1CHEK1PRKD3MAP4K4
SCHEMBL7955816 0.75 CHEK1 (0.47) ALDH1A1MAPTNPSR1CHEK1GAA
SCHEMBL7482891 0.74 PRKD3 (0.49) PARP1CHEK1PRKD3MAP4K4PIM1

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