SCHEMBL4583079

SCHEMBL4583079

COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1-c1ccc2c(c1COc1cc(F)ccc1C)N(C)C(=O)C(C)(C)N2

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.61
HTT P42858 1/20 0.44
CASP3 P42574 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
RAB9A P51151 2/20 0.38
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 2/20 0.37
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL4580209 0.92 IL6 (0.68) IL6CASP3MEN1KMT2APOLB
SCHEMBL4579848 0.91 IL6 (0.67) IL6HTTCASP3MEN1KMT2A
SCHEMBL4580906 0.91 IL6 (0.66) IL6CASP3MEN1KMT2ARAB9A
SCHEMBL4152318 0.90 IL6 (0.64) IL6MEN1KMT2APOLBRXFP1
SCHEMBL4581945 0.89 IL6 (0.68) IL6CASP3MEN1KMT2AALDH1A1
SCHEMBL4581187 0.88 IL6 (0.63) IL6CASP3MEN1KMT2APOLB
SCHEMBL13639355 0.88 IL6 (0.63) IL6CASP3MEN1KMT2ARAB9A
SCHEMBL4579735 0.86 IL6 (0.65) IL6RAB9ASMN1; SMN2
SCHEMBL4130024 0.86 IL6 (0.68) IL6HTTCASP3MEN1KMT2A
SCHEMBL4580423 0.86 IL6 (0.72) IL6MEN1KMT2AMAPK1POLB

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