SCHEMBL7309626

SCHEMBL7309626

O=Cc1cc(OCCCC(=O)Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 2/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.40
BACE1 P56817 2/20 0.40
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7317736 0.96 MAPT (0.43) SIRT5MAPTALDH1A1BACE1KDM4E
SCHEMBL7317041 0.95 MAPT (0.42) SIRT5MAPTALDH1A1BACE1KDM4E
SCHEMBL7321233 0.95 MAPT (0.42) SIRT5MAPTALDH1A1BACE1KDM4E
SCHEMBL7311524 0.90 MAPT (0.40) SIRT5MAPTALDH1A1KDM4EMEN1
SCHEMBL10652642 0.88 MAPT (0.46) SIRT5MAPTALDH1A1BACE1KDM4E
SCHEMBL2555832 0.88 SIRT5 (0.51) SIRT5MAPTALDH1A1BACE1KDM4E
Hydrochloric Acid SCHEMBL7309631 0.87 SIRT5 (0.50) SIRT5MAPTALDH1A1BACE1KDM4E
SCHEMBL7313964 0.86 MAPT (0.40) SIRT5MAPTALDH1A1KDM4EMEN1
SCHEMBL7306554 0.85 NPC1 (0.43) MAPTALDH1A1BACE1KDM4EMEN1
SCHEMBL8702336 0.85 MAPT (0.47) SIRT5MAPTALDH1A1BACE1KDM4E

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