SCHEMBL13639310

SCHEMBL13639310

COc1cc(OC(=O)c2cccc(C(C)=O)c2)ccc1-c1ccc2c(c1COc1cc(F)ccc1C)NC(=O)C(C)(C)N2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.51
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL13639334 0.88 IL6 (0.54) IL6ALDH1A1GAAKMT2AMAPT
SCHEMBL4135574 0.87 IL6 (0.69) IL6ALDH1A1GAAKMT2AMAPT
SCHEMBL13639301 0.86 IL6 (0.60) IL6MAPTHTT
SCHEMBL13639328 0.85 IL6 (0.55) IL6
SCHEMBL13639317 0.85 IL6 (0.51) IL6ALDH1A1KMT2AMAPTMEN1
SCHEMBL1317922 0.85 IL6 (0.47) IL6MAPTLMNATP53HTT
SCHEMBL13639320 0.82 IL6 (0.63) IL6ESR1
SCHEMBL4581463 0.82 IL6 (0.39) IL6ALDH1A1KMT2AMAPTMEN1
SCHEMBL4140752 0.82 IL6 (0.70) IL6ALDH1A1KMT2AMAPTMEN1
SCHEMBL4581224 0.81 IL6 (0.72) IL6ALDH1A1KMT2AMAPTMEN1

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