SCHEMBL150

SCHEMBL150

CCCCc1nc(C#N)c(C#N)n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.47
ACHE P22303 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AGTR1 P30556 2/20 0.40
AGTR2 P50052 2/20 0.40

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
SCHEMBL128 0.82 TLR7 (0.49) TLR7AGTR1AGTR2
SCHEMBL10589723 0.82 MAPT (0.39) ACHEMEN1KMT2AL3MBTL1
SCHEMBL114 0.78 AGTR1 (0.50) TLR7AGTR1AGTR2
SCHEMBL402 0.78 AGTR1 (0.46) TLR7ACHEAGTR1AGTR2
SCHEMBL277 0.74 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL649 0.74 AGTR1 (0.58) TLR7AGTR1AGTR2
SCHEMBL7320199 0.74 TLR7 (0.48) TLR7ACHEMEN1KMT2AAGTR1
SCHEMBL9402176 0.74 TLR7 (0.47) TLR7ACHEMEN1KMT2AL3MBTL1
SCHEMBL13474407 0.73 TLR7 (0.54) TLR7AGTR1AGTR2
SCHEMBL9699713 0.72 TLR7 (0.53) TLR7MEN1KMT2AAGTR1AGTR2

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