SCHEMBL13639334

SCHEMBL13639334

COc1ccccc1C(=O)Oc1ccc(-c2ccc3c(c2COc2cc(F)ccc2C)NC(=O)C(C)(C)N3)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.54
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ESR1 P03372 1/20 0.37
MAPT P10636 4/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
ABL1 P00519 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PLIN1 O60240 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TNNI3 P19429 1/20 0.34
TNNT2 P45379 1/20 0.34
TNNC1 P63316 1/20 0.34
PLIN5 Q00G26 1/20 0.34
ABHD5 Q8WTS1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34

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
SCHEMBL13639317 0.92 IL6 (0.51) IL6KMT2AMEN1MAPTTP53
SCHEMBL13639301 0.89 IL6 (0.60) IL6MAPTABL1
SCHEMBL13639310 0.88 IL6 (0.51) IL6KMT2AMEN1ESR1MAPT
SCHEMBL13639328 0.88 IL6 (0.55) IL6
SCHEMBL4581594 0.86 IL6 (0.73) IL6KMT2AMEN1ESR1MAPT
SCHEMBL13639320 0.85 IL6 (0.63) IL6ESR1
SCHEMBL1314545 0.84 IL6 (0.49) IL6KMT2AMEN1ESR1MAPT
SCHEMBL4581463 0.83 IL6 (0.39) IL6KMT2AMEN1ESR1MAPT
SCHEMBL13639356 0.83 IL6 (0.50) IL6TP53
SCHEMBL4135792 0.82 IL6 (0.72) IL6KMT2AMEN1ESR1MAPT

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