SCHEMBL7311801

SCHEMBL7311801

O=Cc1cc(OCCCC(=O)NC2NCCc3ccccc32)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
SIRT3 Q9NTG7 1/20 0.40
SIRT5 Q9NXA8 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 1/20 0.37
DRD2 P14416 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BACE1 P56817 1/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL7320383 0.86 SMN1; SMN2 (0.47) SMN1; SMN2SIRT3MEN1KMT2AMAPT
SCHEMBL7308539 0.85 SIRT3 (0.52) SMN1; SMN2SIRT3MEN1KMT2AMAPT
SCHEMBL7311390 0.80 SIRT3 (0.38) SMN1; SMN2SIRT3SIRT5MEN1KMT2A
SCHEMBL7310172 0.79 DRD2 (0.41) SMN1; SMN2SIRT3MEN1KMT2AMAPT
SCHEMBL7311807 0.77 PRCP (0.34) SMN1; SMN2SIRT5MEN1KMT2AMAPT
SCHEMBL7321019 0.76 MAPK1 (0.39) SIRT5MEN1KMT2AMAPTHTT
SCHEMBL7320164 0.75 HPGD (0.37) SMN1; SMN2SIRT5MEN1KMT2AMAPT
SCHEMBL7318574 0.74 MEN1 (0.41) SMN1; SMN2SIRT3MEN1KMT2ADRD2
SCHEMBL10377207 0.73 LMNA (0.40) SMN1; SMN2SIRT5MEN1KMT2AMAPT
SCHEMBL7312977 0.73 SIRT3 (0.43) SMN1; SMN2SIRT3MEN1KMT2ADRD2

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 6 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-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
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