SCHEMBL13639316

SCHEMBL13639316

COc1ccc(C#N)cc1-c1ccc2c(c1COc1cc(F)ccc1C)NC(=O)C(C)(C)N2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.57
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
AR P10275 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
HTR2C P28335 1/20 0.33
GRM5 P41594 1/20 0.33
SLK Q9H2G2 2/20 0.33
STK10 O94804 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
MDM2 Q00987 1/20 0.33
BRD4 O60885 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 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
SCHEMBL4582029 0.86 IL6 (0.56) IL6ARCCNT1CDK9
SCHEMBL4579352 0.84 IL6 (0.81) IL6GRIN1GRIN2BARHTR2C
SCHEMBL13639320 0.84 IL6 (0.63) IL6GRIN1GRIN2BHTR2C
SCHEMBL13639295 0.83 IL6 (0.53) IL6GRIN1GRIN2BPTGDR2HTR2C
SCHEMBL13639340 0.83 IL6 (0.47) IL6GRIN1GRIN2B
SCHEMBL4581546 0.82 IL6 (0.49) IL6MDM2CCNT1CDK9
SCHEMBL4580569 0.81 IL6 (0.48) IL6GRM5SLKSTK10
SCHEMBL13639301 0.79 IL6 (0.60) IL6GRIN1GRIN2BMDM2CDK9
SCHEMBL4581371 0.79 IL6 (0.47) IL6GRM5SLKSTK10
SCHEMBL4145214 0.78 IL6 (0.46) IL6GRIN1GRIN2BGRM5SLK

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