SCHEMBL5599158

SCHEMBL5599158

Cn1ccnc1C(O)c1ccc(CCCl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 3/20 0.57
LMNA P02545 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
FGB P02675 1/20 0.39
TNNI3 P19429 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL4905688 0.80 KDM4E (0.71) KDM4EL3MBTL1MAPTLMNAALOX15
SCHEMBL4899087 0.77 KDM4E (0.71) KDM4EL3MBTL1MAPTLMNAALOX15
SCHEMBL6651894 0.77 KDM4E (0.71) KDM4EL3MBTL1MAPTLMNAALOX15
SCHEMBL6920287 0.77 KDM4E (0.71) KDM4EL3MBTL1MAPTLMNAALOX15
SCHEMBL4028614 0.75 KDM4E (0.67) KDM4EL3MBTL1MAPTLMNAALOX15
SCHEMBL9499461 0.74 KDM4E (0.69) KDM4EL3MBTL1MAPTLMNAALOX15
SCHEMBL4906765 0.74 KDM4E (0.65) KDM4EL3MBTL1MAPTLMNAALOX15
SCHEMBL4902046 0.74 KDM4E (0.60) KDM4EL3MBTL1MAPTLMNAALOX15
SCHEMBL11670746 0.73 L3MBTL1 (0.67) KDM4EL3MBTL1MAPTLMNAALOX15
SCHEMBL11671087 0.71 L3MBTL1 (0.68) KDM4EL3MBTL1MAPTLMNAALOX15

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-1755678-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-28 EP claimed
WO-2005097192-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-20 WO claimed
EP-1103243-B1 UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES FOR THE TREATMENT OF TROUBLES MEDIATED BY AN EXCESS OF SUBSTANCE P ESTEVE LABOR DR (ES) 2004-01-07 EP claimed
EP-1746986-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A CARBINOL COMBINED TO AT LEAST AN NSAID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-31 EP disclosed
WO-2005097099-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A CARBINOL COMBINED TO AT LEAST AN NSAID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-20 WO disclosed