SCHEMBL10698231

SCHEMBL10698231

Cc1[nH]ccc1-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.54
MAPK14 Q16539 4/20 0.52
GCGR P47871 3/20 0.52
NR4A2 P43354 1/20 0.40
ACHE P22303 1/20 0.39
DYRK1A Q13627 1/20 0.37
MAPK1 P28482 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
AR P10275 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL6973118 0.78 PTGS2 (0.39) PTGS2MAPK14GCGR
SCHEMBL10993716 0.77 MAPK14 (0.78) PTGS2MAPK14GCGRNR4A2MAPK1
SCHEMBL27892713 0.74 MAPK14 (0.52) MAPK14GCGRDYRK1AMAPK1
SCHEMBL5366395 0.74 CYP2A6 (0.45) PTGS2
SCHEMBL1560587 0.72 PTGS2 (0.41) PTGS2MAPK14GCGRPOLB
SCHEMBL10733900 0.71 PTGS2 (1.00) PTGS2MAPK14GCGRTDO2
SCHEMBL7971869 0.71 PTGS2 (1.00) PTGS2MAPK14GCGRTDO2
SCHEMBL22082710 0.71 MAPK14 (0.48) PTGS2MAPK14GCGRACHEMAPK1
SCHEMBL2285019 0.71 MAPK14 (0.68) PTGS2MAPK14GCGRNR4A2
SCHEMBL10971724 0.70 MAPK14 (0.60) PTGS2MAPK14GCGRMAPK1

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
EP-0265640-A2 Azaindole and indolizine derivatives, processes for their production and their use as pharmaceuticals SANDOZ AG (CH) 1988-05-04 EP disclosed