SCHEMBL4580830

SCHEMBL4580830

COc1ccccc1NCc1c(-c2cc([N+](=O)[O-])ccc2OC)ccc2c1N(C)C(=O)C(C)(C)N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL6 P05231 7/20 0.49
MAPT P10636 7/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 4/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.39
DUSP3 P51452 1/20 0.39

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
SCHEMBL4581420 0.88 IL6 (0.54) IL6MAPTMEN1KMT2AALDH1A1
SCHEMBL4580757 0.87 IL6 (0.51) IL6MAPTNPSR1MEN1KMT2A
SCHEMBL14015542 0.86 IL6 (0.51) IL6MAPTHTTKMT2AALDH1A1
SCHEMBL4580978 0.85 IL6 (0.64) IL6MAPTHTTALDH1A1GAA
SCHEMBL4132793 0.85 IL6 (0.51) IL6MAPTHTTSMN1; SMN2LMNA
SCHEMBL4581470 0.85 IL6 (0.51) IL6MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL4580440 0.85 IL6 (0.51) IL6MAPTMEN1KMT2AALDH1A1
SCHEMBL4141858 0.83 IL6 (0.57) IL6MAPTHTTMEN1KMT2A
SCHEMBL4140502 0.82 IL6 (0.56) IL6MAPTMEN1KMT2AALDH1A1
SCHEMBL4580913 0.82 IL6 (0.62) IL6MAPTMEN1KMT2AALDH1A1

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