SCHEMBL7484398

SCHEMBL7484398

CN(CCNC(=O)OC(C)(C)C)c1nc2c([N+](=O)[O-])cccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
BRD4 O60885 6/20 0.36
SUV39H2 Q9H5I1 2/20 0.35
NR1H2 P55055 4/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
DCTPP1 Q9H773 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SCN9A Q15858 1/20 0.34
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33
BCHE P06276 1/20 0.33
NQO2 P16083 1/20 0.33

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
SCHEMBL7481176 0.85 CKS1B (0.45) CKS1BSKP1SKP2BRD4SUV39H2
SCHEMBL7484393 0.82 NR1H2 (0.34) NR1H2DCTPP1ALDH1A1
SCHEMBL7965370 0.81 BRD4 (0.44) BRD4NR1H2PIM1PIM2
SCHEMBL7475885 0.79 CHRM2 (0.37) NR1H2DCTPP1ALDH1A1GSTP1GSTM2
SCHEMBL7465121 0.77 CKS1B (0.45) CKS1BSKP1SKP2BRD4SUV39H2
SCHEMBL7593155 0.76 AAK1 (0.38) NR1H2DCTPP1
SCHEMBL7484481 0.76 DCTPP1 (0.47) NR1H2DCTPP1ALDH1A1
SCHEMBL31565270 0.70 KDM4E (0.41) CKS1BSKP1SKP2ALDH1A1BCHE
SCHEMBL14476195 0.70 MEN1 (0.52) CKS1BSKP1SKP2ALDH1A1
SCHEMBL29853762 0.69 SCN9A (0.46) BRD4ALDH1A1SCN9ANQO2

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