SCHEMBL7315249

SCHEMBL7315249

CCOC(=O)CCCCCOc1cc(C)cc(C=O)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 8/20 0.39
TDP1 Q9NUW8 3/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 7/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 3/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 1/20 0.38
S1PR4 O95977 1/20 0.38
ITGA4 P13612 1/20 0.38
S1PR1 P21453 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
SCHEMBL7311993 0.95 SMN1; SMN2 (0.41) TNFSMN1; SMN2KMT2AALDH1A1TDP1
SCHEMBL7318982 0.89 TSHR (0.43) KMT2AALDH1A1TDP1TSHRMAPT
Hydrochloric Acid SCHEMBL7309503 0.87 TSHR (0.42) KMT2AALDH1A1TDP1TSHRMAPT
SCHEMBL7309501 0.86 ALDH1A1 (0.35) SMN1; SMN2KMT2AALDH1A1TDP1TSHR
SCHEMBL7320513 0.84 ALDH1A1 (0.47) SMN1; SMN2KMT2AALDH1A1TDP1CYP3A4
SCHEMBL7309407 0.83 TSHR (0.48) SMN1; SMN2KMT2AALDH1A1TDP1TSHR
SCHEMBL7310285 0.83 CYP4F2 (0.43) TNFSMN1; SMN2KMT2AALDH1A1TDP1
SCHEMBL7313345 0.83 ALDH1A1 (0.48) TNFSMN1; SMN2KMT2AALDH1A1TDP1
Hydrochloric Acid SCHEMBL7310273 0.82 TSHR (0.47) SMN1; SMN2KMT2AALDH1A1TDP1TSHR
SCHEMBL7319384 0.82 MAPT (0.40) TNFKMT2AALDH1A1TDP1CYP3A4

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