SCHEMBL444

SCHEMBL444

COc1ncc(CO)n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
AR P10275 1/20 0.42
SRC P12931 1/20 0.42
PRKACA P17612 1/20 0.42
PRKACG P22612 1/20 0.42
PRKACB P22694 1/20 0.42
NOX4 Q9NPH5 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL725 0.82 KDM4E (0.52) SMN1; SMN2KDM4EALDH1A1L3MBTL1AR
SCHEMBL622 0.80 POLB (0.66) SMN1; SMN2KDM4EALDH1A1L3MBTL1AR
SCHEMBL305 0.70 AGTR1 (0.49)
SCHEMBL8170527 0.69 CYP11B1 (0.58) SMN1; SMN2KDM4EALDH1A1L3MBTL1MEN1
SCHEMBL11094841 0.69 AR (0.50) KDM4EALDH1A1L3MBTL1ARTP53
SCHEMBL9423215 0.68 SMN1; SMN2 (0.52) SMN1; SMN2ARHTTMAPTMEN1
Paranitrobenzyl Alcohol SCHEMBL114620 0.66 TSHR (0.69) ALDH1A1
SCHEMBL3149201 0.64 KDM4E (0.58) SMN1; SMN2KDM4EALDH1A1HTTMAPT
SCHEMBL4829087 0.64 HTT (0.60) ALDH1A1HTTMAPTMEN1LMNA
SCHEMBL18177850 0.63 KCNJ1 (0.61) SMN1; SMN2KDM4EALDH1A1HTTMAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733366-B1 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics DU PONT (US) 1998-04-01 EP disclosed
EP-0324377-B1 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids DU PONT (US) 1997-04-16 EP disclosed
EP-0733366-A2 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-25 EP disclosed
EP-0253310-B1 Angiotensin II receptor blocking imidazoles DU PONT (US) 1994-10-26 EP disclosed
US-5155118-A Administering angiotensin inhibitor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-13 US disclosed
US-5153197-A Treatment of hypertension with angiotensin II blocking imidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-06 US disclosed
US-5138069-A Treating hypertension and congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-11 US disclosed
US-5128355-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed
EP-0324377-A2 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP disclosed
WO-1989006233-A1 ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLES AND COMBINATIONS THEREOF WITH DIURETICS AND NSAIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-13 WO disclosed
EP-0253310-A2 Angiotensin II receptor blocking imidazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-20 EP disclosed