SCHEMBL7306070

SCHEMBL7306070

CCOC(=O)CCCCCCc1cc(Cl)c([N+](=O)[O-])c(C=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 2/20 0.39
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CYP4F11 Q9HBI6 1/20 0.35
CYP4F12 Q9HCS2 1/20 0.35
TNF P01375 2/20 0.35
NR1I2 O75469 1/20 0.34
PGR P06401 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PTGS2 P35354 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
SCHEMBL7318708 0.84 CDK1 (0.38) ALDH1A1TSHRCDK1
SCHEMBL7318631 0.84 MAPT (0.40) ALDH1A1TSHRMAPTCDK1
Hydrochloric Acid SCHEMBL7318713 0.83 MAPT (0.39) MAPTCDK1
SCHEMBL7314738 0.83 FBP1 (0.40) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL7307738 0.81 CYP4F2 (0.40) CYP4Z1ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL7313997 0.81 FBP1 (0.41) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL7310285 0.80 CYP4F2 (0.43) CYP4Z1ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL7310102 0.78 MAPT (0.46) CYP4Z1ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL7319206 0.76 MAPT (0.43) CYP4Z1ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL7317165 0.76 CYP4F2 (0.52) CYP4Z1ALDH1A1TDP1CYP3A4ALOX15

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