SCHEMBL13639324

SCHEMBL13639324

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

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.82
HTR2C P28335 1/20 0.33
BACE1 P56817 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CCNT1 O60563 2/20 0.31
CDK9 P50750 2/20 0.31
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
CSNK1A1 P48729 1/20 0.30
CSNK1D P48730 1/20 0.30
GSK3B P49841 1/20 0.30
CSNK1G2 P78368 1/20 0.30
MAPK1 P28482 1/20 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
SCHEMBL4579844 0.93 IL6 (0.90) IL6HTR2CBACE1KMT2AMEN1
SCHEMBL4580952 0.91 IL6 (0.86) IL6HTR2CBACE1KMT2AMEN1
SCHEMBL4581788 0.90 IL6 (1.00) IL6HTR2CBACE1KMT2AMEN1
SCHEMBL4581342 0.90 IL6 (0.84) IL6HTR2CBACE1KMT2AMEN1
SCHEMBL4134613 0.90 IL6 (0.84) IL6HTR2CKMT2AMEN1ALDH1A1
SCHEMBL4135144 0.89 IL6 (0.83) IL6HTR2CBACE1KMT2AMEN1
SCHEMBL4126541 0.89 IL6 (0.83) IL6HTR2CALDH1A1KDM4E
SCHEMBL4127299 0.89 IL6 (0.82) IL6HTR2CKMT2AMEN1KDM4E
SCHEMBL4582039 0.89 IL6 (0.82) IL6HTR2CBACE1KMT2AMEN1
SCHEMBL4141804 0.88 IL6 (0.81) IL6HTR2CFFAR1FFAR4

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 2 patents. 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
EP-1995242-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2008-11-26 EP disclosed