SCHEMBL7991844

SCHEMBL7991844

CC(C)(C)OC(=O)c1nc(-c2cccc3ccccc23)[nH]c1-c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.51
MAPK13 O15264 1/20 0.51
GCGR P47871 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
ALOX5 P09917 3/20 0.47
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
CSNK1D P48730 3/20 0.41
CSNK1E P49674 3/20 0.41
RAF1 P04049 2/20 0.40
IDO1 P14902 1/20 0.39
DYRK1A Q13627 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38

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
SCHEMBL7988468 0.86 TEK (0.49) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL7977727 0.84 RAF1 (0.55) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL7991764 0.83 GPR84 (0.38) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL7995032 0.83 MAPK14 (0.58) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL7991975 0.78 MAPK14 (0.49) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL7989739 0.77 MAPK14 (0.56) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL7995659 0.77 GCGR (0.54) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL7991767 0.77 MAPK11 (0.57) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL7995767 0.76 KDM4E (0.49) ALDH1A1LMNA
SCHEMBL7989693 0.76 MAPK14 (0.54) MAPK14MAPK13GCGRMAPK12MAPK11

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
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed