SCHEMBL7309433

SCHEMBL7309433

CCOC(=O)CCCCCOc1cc([N+](=O)[O-])c(C=O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
MAPT P10636 6/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
PRKDC P78527 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 4/20 0.42
TNF P01375 1/20 0.41
TSHR P16473 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 1/20 0.38
S1PR4 O95977 1/20 0.38
ITGA4 P13612 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
SCHEMBL10376957 0.99 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL18554131 0.89 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL7316885 0.88 MAPT (0.43) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL7321047 0.87 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL7307312 0.87 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL7318409 0.86 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ECYP3A4ALOX15
Hydrochloric Acid SCHEMBL7318415 0.86 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL7315056 0.86 MAPT (0.43) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL7317136 0.85 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL18953087 0.84 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ECYP3A4ALOX15

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