SCHEMBL10375845

SCHEMBL10375845

CN(C(=O)CCCCOc1cccc(C=O)c1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RAD52 P43351 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
THRA P10827 1/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 1/20 0.36
S1PR4 O95977 1/20 0.36
ITGA4 P13612 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL10376583 0.99 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AMEN1RAD52
SCHEMBL10376006 0.97 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AMEN1RAD52
SCHEMBL7315898 0.86 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL10376735 0.85 L3MBTL1 (0.38) ALDH1A1MAPTKMT2AMEN1RAD52
SCHEMBL10375858 0.85 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AMEN1RAD52
SCHEMBL10376692 0.85 NPC1 (0.44) ALDH1A1MAPTKMT2AMEN1RAD52
SCHEMBL10752314 0.84 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AMEN1RAD52
SCHEMBL7310244 0.84 L3MBTL1 (0.39) ALDH1A1MAPTKMT2AMEN1RAD52
SCHEMBL10376737 0.84 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AMEN1RAD52
SCHEMBL10754673 0.84 MLYCD (0.37) ALDH1A1MAPTKMT2AMEN1RAD52

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 5 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-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