SCHEMBL2581893

SCHEMBL2581893

COC(=O)c1cc(Br)cc2[nH]nc(C(C)C)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.38
CHEK1 O14757 1/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
STAT3 P40763 1/20 0.35
HIF1A Q16665 1/20 0.35
DYRK1A Q13627 2/20 0.35
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CCNA2 P20248 1/20 0.33

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
SCHEMBL2592544 0.85 PPARA (0.40) DYRK1AHSD17B10
SCHEMBL2592617 0.84 MAP2K4 (0.41) MAPK1KDM4ESTAT3HIF1ATSHR
SCHEMBL2593108 0.84 NQO2 (0.40) MAPK1KDM4ESTAT3HIF1ATSHR
SCHEMBL701198 0.78 NR4A2 (0.38) NR4A2CHEK1MAPK1KDM4ESTAT3
SCHEMBL2589397 0.76 OPRK1 (0.38) NR4A2MAPK1LMNASMN1; SMN2OPRK1
SCHEMBL27832044 0.76 NR4A2 (0.36) NR4A2CHEK1MAPK1KDM4ESTAT3
SCHEMBL2581802 0.74 MAP2K4 (0.37) LMNAMAPTALDH1A1
SCHEMBL2591509 0.74 ALDH1A1 (0.44) KDM4ETSHRLMNASMN1; SMN2MAPT
SCHEMBL25009349 0.71 OPRK1 (0.47) MAPK1KDM4ELMNASMN1; SMN2OPRK1
SCHEMBL28501362 0.69 KDM4E (0.46) NR4A2MAPK1KDM4ESTAT3HIF1A

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-2566328-A1 INDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed