SCHEMBL7315876

SCHEMBL7315876

CCOC(=O)COc1cc(C=O)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
MAPT P10636 7/20 0.47
LMNA P02545 5/20 0.47
HPGD P15428 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
NTSR1 P30989 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 2/20 0.47
TLR9 Q9NR96 2/20 0.47
NPC1 O15118 1/20 0.47
S1PR4 O95977 1/20 0.47
ITGA4 P13612 1/20 0.47
S1PR1 P21453 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL7318443 0.87 MAPT (0.44) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL7315056 0.86 MAPT (0.43) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL32690661 0.86 ALDH1A1 (0.64) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL32690685 0.86 ALDH1A1 (0.64) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL7307312 0.85 ALDH1A1 (0.42) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL7308181 0.84 ALDH1A1 (0.49) ALDH1A1MAPTHPGDCYP3A4CYP2C19
SCHEMBL7315655 0.84 ALDH1A1 (0.49) ALDH1A1MAPTLMNACYP3A4SMN1; SMN2
SCHEMBL7310214 0.83 MAPT (0.44) ALDH1A1MAPTLMNAHPGDNPSR1
Hydrochloric Acid SCHEMBL7315662 0.83 ALDH1A1 (0.48) ALDH1A1MAPTHPGDCYP3A4CYP2C19
SCHEMBL4069161 0.82 TDP1 (0.48) ALDH1A1MAPTLMNAHPGDNPSR1

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