SCHEMBL7306772

SCHEMBL7306772

CCOC(=O)CCCOc1cc(C)c(C=O)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
BRD4 O60885 1/20 0.43
TNF P01375 1/20 0.41
LTA4H P09960 4/20 0.39
LMNA P02545 2/20 0.37
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
PTPN1 P18031 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
NTSR1 P30989 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL7320131 0.97 MAPT (0.43) MAPTKDM4EALDH1A1TDP1BRD4
SCHEMBL7316016 0.87 MCL1 (0.45) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7317402 0.86 MAPT (0.39) MAPTKDM4EALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL7317408 0.86 MCL1 (0.44) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7306516 0.84 MAPT (0.41) MAPTKDM4EALDH1A1TDP1BRD4
SCHEMBL7306623 0.83 MCL1 (0.44) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL6492212 0.83 MAPT (0.46) MAPTKDM4EALDH1A1TDP1BRD4
Hydrochloric Acid SCHEMBL7311619 0.82 MCL1 (0.43) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7311614 0.82 MAPT (0.41) MAPTKDM4EALDH1A1LMNACYP1A2
SCHEMBL7311475 0.81 KDM4E (0.44) MAPTKDM4EALDH1A1TDP1TNF

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