SCHEMBL7315331

SCHEMBL7315331

CCOC(=O)CCCOc1ccc([N+](=O)[O-])c(C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
BRD4 O60885 1/20 0.48
MAPT P10636 7/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
NTSR1 P30989 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
P2RY12 Q9H244 1/20 0.46
SIRT5 Q9NXA8 1/20 0.45
LTA4H P09960 4/20 0.44
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44

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
SCHEMBL7319981 0.97 ALDH1A1 (0.47) ALDH1A1TDP1BRD4MAPTLMNA
SCHEMBL7312883 0.95 ALDH1A1 (0.47) ALDH1A1TDP1BRD4MAPTLMNA
SCHEMBL7308168 0.95 ALDH1A1 (0.47) ALDH1A1TDP1BRD4MAPTLMNA
SCHEMBL7318598 0.91 MAPT (0.49) ALDH1A1TDP1BRD4MAPTLMNA
SCHEMBL7312411 0.87 MAPT (0.48) ALDH1A1TDP1BRD4MAPTLMNA
SCHEMBL7312583 0.87 ALDH1A1 (0.58) ALDH1A1TDP1MAPTLMNAHPGD
SCHEMBL7311849 0.86 MAPT (0.47) ALDH1A1TDP1BRD4MAPTLMNA
SCHEMBL10376734 0.85 PDE3B (0.45) ALDH1A1MAPTLMNAHPGDKDM4E
SCHEMBL10377089 0.84 SIRT5 (0.43) ALDH1A1TDP1MAPTLMNAHPGD
SCHEMBL10652642 0.84 MAPT (0.46) ALDH1A1MAPTLMNAKDM4EPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4904667-A 1H-1,2,4-thiadiazolo(3,4-b)quinazolin-5-one-2,2-dioxides, and a method for increasing the cardiac output of a mammal with them ORTHO PHARMACEUTICAL CORPORATION (US) 1990-02-27 US disclosed
EP-0116948-B1 (2-OXO-1,2,3,5-TETRAHYDROIMIDAZO-(2,1-B)QUINAZOLINYL)-OXYALKYL-AMIDES SYNTEX (U.S.A.) INC. (US) 1990-01-03 EP disclosed
US-4775674-A CARDIOTONIC AGENTS BRISTOL-MYERS COMPANY (US) 1988-10-04 US disclosed
US-4690925-A ANTITHROMBOTIC ACTIVITY, CARDIOTONIC AGENTS SYNTEX (U.S.A.) INC. (US) 1987-09-01 US disclosed
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed
US-4663320-A ANTITUMOR AGENTS, ANTICOAGULANTS SYNTEX (U.S.A.) INC. (US) 1987-05-05 US disclosed
US-4551459-A Method of treating heart failure using (2-oxo-1,2,3,5-tetrahydroimidazo-[2,1-b]quinazolinyl)oxyalkylamides SYNTEX (U.S.A.) INC. (US) 1985-11-05 US disclosed
EP-0153152-A2 (2-Oxo-1,2,3,5-tetrahydroimidazo-/2,1-b/quinnazolinyl)-oxyalkylamides, their preparation, compositions containing them and their use in making medicaments SYNTEX (U.S.A.) INC. (US) 1985-08-28 EP disclosed
US-4490371-A ANTICOAGULANTS, PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1984-12-25 US disclosed
EP-0116948-A2 (2-Oxo-1,2,3,5-tetrahydroimidazo-(2,1-b)quinazolinyl)-oxyalkyl-amides SYNTEX (U.S.A.) INC. (US) 1984-08-29 EP disclosed