SCHEMBL7326754

SCHEMBL7326754

O=C(O)CNc1ccc(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.48
SRD5A2 P31213 1/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC1 Q13547 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
ESR1 P03372 1/20 0.43
CYP19A1 P11511 1/20 0.43
ESR2 Q92731 1/20 0.43
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL5540385 0.85 ALOX5 (0.52) ALOX5MAPTMEN1KMT2AMAPK1
SCHEMBL15057017 0.83 ALOX5 (0.58) ALOX5MAPTMEN1KMT2AMAPK1
SCHEMBL1126414 0.81 MAPT (0.59) MAPTMEN1KMT2APOLBESR1
SCHEMBL28122216 0.80 MAPT (0.58) MAPTMEN1KMT2APOLBESR1
SCHEMBL7786090 0.78 TP53 (0.55) MAPTMEN1KMT2APOLBCYP3A4
SCHEMBL16063181 0.78 CASR (0.52) ALOX5MAPTMEN1KMT2APOLB
Urea SCHEMBL28444611 0.77 MAPT (0.54) MAPTMEN1KMT2APOLBESR1
SCHEMBL15057154 0.77 ALOX5 (0.51) ALOX5MAPTMEN1KMT2APOLB
SCHEMBL1115173 0.77 ALOX5 (0.48) ALOX5MAPTMEN1KMT2APOLB
SCHEMBL214448 0.76 CES2 (0.61) ALOX5SRD5A2POLBMAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5246928-A Cardiovascular disorders SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-09-21 US disclosed
US-5155209-A Anticarcinogenic, antitumor agents TRUSTEES OF BOSTON UNIVERSITY (US) 1992-10-13 US disclosed
US-5066653-A Cardiovascular disorders; bronchodilators; phosphodiesterase inhibitors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-19 US disclosed
EP-0208518-B1 6-PHENYL-PYRIDAZINYL COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-09-11 EP disclosed
EP-0201988-B1 DIHYDROPYRIDAZINONE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-08-07 EP disclosed
EP-0199465-B1 CYANOALKANIMIDAMIDO COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-05-08 EP disclosed
US-4962110-A Cardiac stimulants SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-10-09 US disclosed
US-4946842-A BRONCHODILATOR AGENTS; PHOSPHODIESTERASE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-08-07 US disclosed
US-4906628-A N-phenylpyridone type III phosphodiesterases SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-03-06 US disclosed
EP-0150937-B1 DIHYDROPYRIDAZINONES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-09-14 EP disclosed
US-4766122-A CARDIAC STIMULANTS; BRONCHODILATOR AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-08-23 US disclosed
US-4766123-A CARDIAC STIMULANTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-08-23 US disclosed
EP-0233745-A2 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-08-26 EP disclosed
EP-0220044-A2 4(4-oxo-1,4-dihydropyridin-1-yl)phenyl derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-04-29 EP disclosed
US-4654342-A TREATMENT OF CONGESTIVE HEART FAILURE BRONCHODILATION SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1987-03-31 US disclosed
US-4652563-A PYRIDAZINONES SUBSTITUTED WITH CYCLOPROPYLMETHOXYETHYL GROUP SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1987-03-24 US disclosed
EP-0197664-A2 2-Aminopyrimidinone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-10-15 EP disclosed
EP-0168921-A2 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-01-22 EP disclosed