SCHEMBL3699287

SCHEMBL3699287

O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3F)ccc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 6/20 0.55
LMNA P02545 4/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 3/20 0.55
TOP2A P11388 3/20 0.55
TOP2B Q02880 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIK3CG P48736 5/20 0.40
PIK3CD O00329 4/20 0.40
PIK3R1 P27986 4/20 0.40
PIK3CA P42336 4/20 0.40
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
POLB P06746 1/20 0.38
CHRM2 P08172 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
SCHEMBL5546381 0.83 KDM4E (0.67) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL15502434 0.75 KDM4E (0.53) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL22579210 0.74 KDM4E (0.72) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9146620 0.74 KDM4E (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5184138 0.73 KDM4E (0.54) KDM4EALDH1A1LMNAHPGDHSD17B10
Iodide SCHEMBL9805908 0.72 KDM4E (0.68) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL7118334 0.72 KDM4E (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3815099 0.72 KDM4E (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10595590 0.72 KDM4E (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL17897071 0.72 KDM4E (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391209-A1 SPUTUM DISSOLVING SUCTIONING SOLUTION FOR ENDOTRACHEAL AND TRACHEOSTOMY TUBES Teleflex Medical Incorporated (US) 2011-12-07 EP claimed
WO-2010088191-A1 SPUTUM DISSOLVING SUCTIONING SOLUTION FOR ENDOTRACHEAL AND TRACHEOSTOMY TUBES TELEFLEX MEDICAL INCORPORATED (US) 2010-08-05 WO claimed
EP-2391632-A1 BACTERIOSTATIC CATHETER LOCK CONTAINING GLYCEROL Teleflex Medical Incorporated (US) 2011-12-07 EP disclosed
EP-2391209-A1 SPUTUM DISSOLVING SUCTIONING SOLUTION FOR ENDOTRACHEAL AND TRACHEOSTOMY TUBES Teleflex Medical Incorporated (US) 2011-12-07 EP disclosed
WO-2010088192-A1 BACTERIOSTATIC CATHETER LOCK CONTAINING GLYCEROL TELELFLEX MEDICAL INCORPORATED (US) 2010-08-05 WO disclosed
WO-2010088191-A1 SPUTUM DISSOLVING SUCTIONING SOLUTION FOR ENDOTRACHEAL AND TRACHEOSTOMY TUBES TELEFLEX MEDICAL INCORPORATED (US) 2010-08-05 WO disclosed
EP-1833838-A2 CATIONIC LIPOSOMES COMPRISING A CHARGE NEUTRAL COMPOUND AND A CATIONIC PHOSPHOLIPID Applera Corporation, Applied Biosystems Group (US) 2007-09-19 EP disclosed
WO-2006065960-A2 CATIONIC LIPOSOMES COMPRISING A CHARGE NEUTRAL COMPOUND AND A CATIONIC PHOSPHOLIPID APPLERA CORPORATION (US) 2006-06-22 WO disclosed
WO-2006033713-A2 METHODS FOR CIPROFLOXACIN INHALATION CHIRON CORPORATION (US) 2006-03-30 WO disclosed