SCHEMBL7309641

SCHEMBL7309641

CCOC(=O)CCCOc1cccc([N+](=O)[O-])c1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 8/20 0.45
MAPT P10636 7/20 0.45
LMNA P02545 5/20 0.45
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 4/20 0.44
NPC1 O15118 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TLR9 Q9NR96 2/20 0.44
S1PR4 O95977 1/20 0.44
ITGA4 P13612 1/20 0.44
S1PR1 P21453 1/20 0.44
RECQL P46063 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.41

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
SCHEMBL7315226 0.97 L3MBTL1 (0.52) L3MBTL1RAB9AALDH1A1MAPTLMNA
SCHEMBL7318619 0.95 L3MBTL1 (0.54) L3MBTL1RAB9AALDH1A1MAPTLMNA
SCHEMBL7317201 0.87 MAPT (0.45) L3MBTL1RAB9AALDH1A1MAPTLMNA
SCHEMBL8156417 0.85 L3MBTL1 (0.66) L3MBTL1RAB9AALDH1A1MAPTLMNA
SCHEMBL7307583 0.84 MAPT (0.43) L3MBTL1RAB9AALDH1A1MAPTLMNA
SCHEMBL7306270 0.84 MAPT (0.43) L3MBTL1RAB9AALDH1A1MAPTLMNA
SCHEMBL7308438 0.84 NPC1 (0.48) L3MBTL1RAB9AALDH1A1MAPTLMNA
SCHEMBL7311475 0.84 KDM4E (0.44) L3MBTL1ALDH1A1MAPTLMNAHTT
Hydrochloric Acid SCHEMBL7306474 0.83 NPC1 (0.47) L3MBTL1RAB9AALDH1A1MAPTLMNA
SCHEMBL7306466 0.83 RAB9A (0.47) L3MBTL1RAB9AALDH1A1MAPTLMNA

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