SCHEMBL7312705

SCHEMBL7312705

CCOC(=O)CCCCOc1c(Cl)ccc(C=O)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.39
MAPT P10636 6/20 0.38
KDM4E B2RXH2 1/20 0.38
LTA4H P09960 3/20 0.37
FBP1 P09467 1/20 0.36
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 3/20 0.36
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL7310260 0.97 TNF (0.39) TNFMAPTKDM4ELTA4HFBP1
SCHEMBL7306602 0.86 TNF (0.38) TNFMAPTKDM4ELTA4HALDH1A1
SCHEMBL7317613 0.85 PTPN7 (0.32) MAPTALDH1A1LMNAHPGDL3MBTL1
SCHEMBL7319123 0.85 HPGD (0.39) MAPTALDH1A1CYP3A4KMT2ALMNA
Hydrochloric Acid SCHEMBL7317619 0.84 HPGD (0.39) MAPTALDH1A1CYP3A4KMT2ALMNA
SCHEMBL7313402 0.83 TNF (0.39) TNFMAPTKDM4ELTA4HFBP1
SCHEMBL7307738 0.83 CYP4F2 (0.40) TNFMAPTKDM4EFBP1ALDH1A1
SCHEMBL18554129 0.83 TNF (0.48) TNFMAPTKDM4EALDH1A1TDP1
SCHEMBL7314001 0.82 MAPT (0.41) TNFMAPTKDM4ELTA4HALDH1A1
SCHEMBL7314929 0.82 FFAR4 (0.38) MAPTALDH1A1CYP3A4KMT2ALMNA

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