SCHEMBL13639340

SCHEMBL13639340

Cc1ccc(F)cc1OCc1c(-c2ccccc2C#N)ccc2c1NC(=O)C(C)(C)N2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.47
MOGAT2 Q3SYC2 2/20 0.37
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
MAPK14 Q16539 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
PGR P06401 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL4580376 0.83 IL6 (0.69) IL6GRIN1GRIN2BMAPK14L3MBTL1
SCHEMBL13639316 0.83 IL6 (0.57) IL6GRIN1GRIN2B
SCHEMBL13639320 0.81 IL6 (0.63) IL6MOGAT2GRIN1GRIN2BFFAR1
SCHEMBL4582029 0.81 IL6 (0.56) IL6L3MBTL1PGR
SCHEMBL13639295 0.80 IL6 (0.53) IL6MOGAT2GRIN1GRIN2BFFAR1
SCHEMBL13639334 0.79 IL6 (0.54) IL6
SCHEMBL4145214 0.77 IL6 (0.46) IL6GRIN1GRIN2BL3MBTL1
SCHEMBL13639301 0.76 IL6 (0.60) IL6MOGAT2GRIN1GRIN2BFFAR1
SCHEMBL13639367 0.76 IL6 (0.48) IL6
SCHEMBL13639328 0.75 IL6 (0.55) IL6FFAR1FFAR4

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-1995242-B1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-07 EP disclosed