SCHEMBL5599142

SCHEMBL5599142

Cn1ccnc1C(CO)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.52
KDM4E B2RXH2 2/20 0.46
LDHA P00338 2/20 0.43
LDHB P07195 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
FPR2 P25090 4/20 0.40
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL5599337 0.84 KDM4E (0.49) FFAR1KDM4ELDHALDHBL3MBTL1
SCHEMBL4906765 0.81 KDM4E (0.65) FFAR1KDM4ELDHALDHBL3MBTL1
SCHEMBL5600881 0.79 FFAR1 (0.53) FFAR1KDM4ELDHALDHBL3MBTL1
SCHEMBL5601418 0.75 FFAR1 (0.44) FFAR1KDM4ELDHALDHBL3MBTL1
SCHEMBL5599443 0.75 KDM4E (0.46) FFAR1KDM4EL3MBTL1MAPTCYP2D6
SCHEMBL8233890 0.75 ACP3 (0.47) FFAR1ALDH1A1TSHR
SCHEMBL1503496 0.71 KDM4E (0.63) FFAR1KDM4EL3MBTL1MAPTKMT2A
Trifluoromethanesulfonic Acid SCHEMBL28182343 0.71 KDM4E (0.51) FFAR1KDM4EL3MBTL1MAPTKMT2A
SCHEMBL4907871 0.70 SLC6A4 (0.40) FFAR1LDHALDHBL3MBTL1MAPT
SCHEMBL4908281 0.69 MAPT (0.57) KDM4EL3MBTL1MAPTKMT2AFPR2

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 6 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
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 claimed
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 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-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