SCHEMBL7318441

SCHEMBL7318441

CCOC(=O)CCCCCCc1ccc([N+](=O)[O-])c(C=O)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
CYP4Z1 Q86W10 2/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL7310125 0.89 ALDH1A1 (0.47) ALDH1A1TDP1CYP4F2CYP4A11MAPT
SCHEMBL7315343 0.85 CYP4F2 (0.53) ALDH1A1TDP1CYP4F2CYP4A11MAPT
SCHEMBL7315333 0.84 ACLY (0.42) ALDH1A1TDP1MAPTKMT2ACYP1A2
SCHEMBL7311366 0.84 ACLY (0.38) ALDH1A1TDP1KMT2ACYP1A2SMN1; SMN2
SCHEMBL7312320 0.83 ALDH1A1 (0.44) ALDH1A1TDP1CYP4F2CYP4A11MAPT
Hydrochloric Acid SCHEMBL7311372 0.83 ACLY (0.41) TDP1MAPTKMT2ACYP1A2MEN1
SCHEMBL7320611 0.83 L3MBTL1 (0.43) ALDH1A1TDP1MAPTKDM4EKMT2A
SCHEMBL7306270 0.81 MAPT (0.43) ALDH1A1TDP1MAPTKDM4EKMT2A
SCHEMBL17922571 0.80 ALDH1A1 (0.58) ALDH1A1TDP1CYP4F2CYP4A11MAPT
SCHEMBL7314001 0.80 MAPT (0.41) ALDH1A1TDP1MAPTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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