SCHEMBL7307583

SCHEMBL7307583

CCOC(=O)CCCOc1ccc([N+](=O)[O-])c(C=O)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
TNF P01375 1/20 0.39
ALDH1A1 P00352 8/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
S1PR4 O95977 1/20 0.38
ITGA4 P13612 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR9 Q9NR96 1/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL7317201 0.90 MAPT (0.45) MAPTKDM4EL3MBTL1TNFALDH1A1
SCHEMBL7306270 0.87 MAPT (0.43) MAPTKDM4EL3MBTL1TNFALDH1A1
SCHEMBL7307134 0.85 FFAR1 (0.39) MAPTKDM4EALDH1A1TDP1HPGD
SCHEMBL7313337 0.85 BCHE (0.40) MAPTKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL7310206 0.84 MAPT (0.43) MAPTKDM4EL3MBTL1TNFALDH1A1
SCHEMBL7309641 0.84 L3MBTL1 (0.50) MAPTKDM4EL3MBTL1TNFALDH1A1
SCHEMBL7307717 0.84 ALDH1A1 (0.37) MAPTKDM4EALDH1A1TDP1HPGD
Hydrochloric Acid SCHEMBL7307724 0.84 FFAR1 (0.39) MAPTKDM4EALDH1A1TDP1HPGD
SCHEMBL7320611 0.83 L3MBTL1 (0.43) MAPTKDM4EL3MBTL1TNFALDH1A1
SCHEMBL7320507 0.82 MAPT (0.43) MAPTKDM4EL3MBTL1TNFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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