SCHEMBL5286485

SCHEMBL5286485

CC(C)(C)CC(=O)c1cc(N)c(C(=O)N2CCNC(=O)CC2)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.38
PLAT P00750 2/20 0.38
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.31
MDM2 Q00987 1/20 0.30
HSP90AA1 P07900 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
SCHEMBL3548879 0.81 MAPK14 (0.43) MAPK14PLATMAPK13MAPK12MAPK11
SCHEMBL13223552 0.64 HDAC6 (0.39) MAPK14PLATMAPK13MAPK12MAPK11
SCHEMBL14459895 0.62 MAPK14 (0.61) MAPK14PLATMAPK13MAPK12MAPK11
SCHEMBL16751026 0.62 KMT2A (0.42) MAPK14PLATPOLBTDP1TSHR
SCHEMBL13261526 0.62 TSHR (0.55) MAPK14POLBTDP1TSHRHSP90AA1
SCHEMBL13315134 0.62 MEN1 (0.42) MAPK14TSHR
SCHEMBL1534401 0.61 HIF1A (0.51) POLBTSHR
SCHEMBL13245894 0.61 TSHR (0.47) PLATPOLBTDP1TSHR
SCHEMBL327562 0.61 MAPK1 (0.51) POLB
SCHEMBL15386475 0.61 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11TSHR

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-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed