SCHEMBL622

SCHEMBL622

CSc1ncc(CO)n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.66
KDM4E B2RXH2 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.48
THRB P10828 1/20 0.47
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44
NR2F2 P24468 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.43
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

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) POLBKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL444 0.80 SMN1; SMN2 (0.51) KDM4ESMN1; SMN2ALDH1A1L3MBTL1HTT
SCHEMBL15180670 0.70 ALDH1A1 (0.51) POLBSMN1; SMN2ALDH1A1L3MBTL1NPC1
SCHEMBL8170527 0.69 CYP11B1 (0.58) POLBKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9767502 0.69 ALDH1A1 (0.52) KDM4ESMN1; SMN2ALDH1A1L3MBTL1TP53
SCHEMBL9589089 0.68 ALDH1A1 (0.50) KDM4ESMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL584 0.67 POLB (0.56) POLBHTTTHRBMAPK1NPC1
SCHEMBL6749949 0.66 NPC1 (0.58) POLBKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL326336 0.66 MAPT (0.49) SMN1; SMN2ALDH1A1L3MBTL1MAPT
Paranitrobenzyl Alcohol SCHEMBL114620 0.66 TSHR (0.69) POLBALDH1A1

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