SCHEMBL13639304

SCHEMBL13639304

COc1cc(F)ccc1-c1ccc2c(c1COC(=O)C1CC=C(Br)S1)N(C)C(=O)C(C)(C)N2

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.54
KCNH2 Q12809 1/20 0.30
GRIN1 Q05586 2/20 0.30
GRIN2B Q13224 2/20 0.30

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
SCHEMBL13639307 0.87 IL6 (0.59) IL6
SCHEMBL14015569 0.86 IL6 (0.55) IL6KCNH2GRIN1GRIN2B
SCHEMBL13639311 0.84 IL6 (0.46) IL6
SCHEMBL12533076 0.84 IL6 (0.52) IL6
SCHEMBL14015566 0.81 IL6 (0.58) IL6
SCHEMBL12533028 0.80 IL6 (0.51) IL6
SCHEMBL4135434 0.80 IL6 (0.56) IL6GRIN1GRIN2B
SCHEMBL13639338 0.80 IL6 (0.51) IL6
SCHEMBL13478141 0.80 IL6 (0.47) IL6
SCHEMBL13639302 0.80 IL6 (0.49) IL6

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