SCHEMBL5264172

SCHEMBL5264172

Nc1cc(CC=O)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.41
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MAOB P27338 3/20 0.35
TAAR1 Q96RJ0 1/20 0.34
NR2E1 Q9Y466 1/20 0.34
DAO P14920 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KIF11 P52732 1/20 0.32
CES2 O00748 1/20 0.32
RHOC P08134 1/20 0.32
RHOA P61586 1/20 0.32

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
SCHEMBL1295656 0.86 IDO1 (0.48) IDO1DAOCES2RHOCRHOA
SCHEMBL28676177 0.83 IDO1 (0.40) IDO1TSHRMAPK1MAOBTAAR1
SCHEMBL864911 0.79 IDO1 (0.47) IDO1TSHRMAPK1MAOBTAAR1
SCHEMBL1295918 0.78 RXRA (0.41) IDO1DAOALDH1A1CES2
SCHEMBL10200704 0.78 IDO1 (0.45) IDO1TSHRMAPK1MAOBTAAR1
SCHEMBL13675004 0.78 IDO1 (0.45) IDO1TSHRMAPK1MAOBTAAR1
SCHEMBL23536705 0.77 IDH1 (0.39) IDO1DAOMAPT
SCHEMBL5592016 0.77 NOTUM (0.41) IDO1DAOCES2
SCHEMBL22783327 0.77 IDO1 (0.37) IDO1TSHRMAPK1DAOMAPT
SCHEMBL5426047 0.76 IDO1 (0.39) IDO1TSHRMAPK1MAOBNR2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP disclosed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 WO disclosed