SCHEMBL7943305

SCHEMBL7943305

[O-][S+](c1cccc(C(F)(F)F)c1)N1CCC(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 5/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
NR3C1 P04150 1/20 0.41
NOTUM Q6P988 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CTSK P43235 1/20 0.38
KCNH2 Q12809 1/20 0.38
POLB P06746 2/20 0.36
LRRK2 Q5S007 1/20 0.36
FPR2 P25090 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
PIM1 P11309 1/20 0.36
FLT3 P36888 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL7950137 0.83 MEN1 (0.40) MEN1ALDH1A1KMT2ANOTUMPIM1
SCHEMBL8093004 0.79 ALOX5 (0.37) MEN1ALDH1A1MAPTKMT2ANOTUM
SCHEMBL8101846 0.78 ALOX5 (0.35) MEN1ALDH1A1MAPTKMT2ANOTUM
SCHEMBL24194641 0.76 NOTUM (0.53) IDH2NOTUMPIM1
SCHEMBL24742649 0.74 LMNA (0.44) MEN1ALDH1A1MAPTKMT2ALMNA
SCHEMBL22813701 0.71 HTR2C (0.42) IDH2ALDH1A1MAPTNOTUM
SCHEMBL4661338 0.67 TSHR (0.54) ALDH1A1MAPT
SCHEMBL1410138 0.67 NOTUM (0.67) IDH2ALDH1A1MAPTNOTUMPOLB
SCHEMBL13040490 0.67 TSHR (0.45) IDH2ALDH1A1L3MBTL1
SCHEMBL20048770 0.67 TSHR (0.50) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009151152-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-12-17 WO disclosed