SCHEMBL14965906

SCHEMBL14965906

N#Cc1ccc(NC(=O)N2CCOc3nc([N+](=O)[O-])cn3CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 4/20 0.42
NAMPT P43490 4/20 0.42
FAAH O00519 1/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GOT1 P17174 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT3 P36888 1/20 0.39
CCR2 P41597 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
P2RY12 Q9H244 1/20 0.38
FGFR4 P22455 1/20 0.37

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
SCHEMBL14965955 0.87 MAPK1 (0.44) GAALMNAMAPTSMN1; SMN2
SCHEMBL14966280 0.87 SMN1; SMN2 (0.52) PANK3FAAHGAALMNAMAPT
SCHEMBL14965726 0.87 NPC1 (0.45) FAAHGAALMNAMAPTHTT
SCHEMBL14965945 0.85 BLM (0.55) FAAHLMNAMAPTHTTSMN1; SMN2
SCHEMBL14966084 0.79 SLC6A9 (0.41) NAMPTMAPTSMN1; SMN2
SCHEMBL14965998 0.78 CYP11B2 (0.45) FAAH
SCHEMBL14966123 0.77 KMT2A (0.52) NAMPTLMNAMAPTSMN1; SMN2
SCHEMBL14966236 0.76 PKM (0.49) GAAMAPTHTTSMN1; SMN2
SCHEMBL14966075 0.74 KDM4E (0.46) LMNAHTTSMN1; SMN2
SCHEMBL14965986 0.74 KCNJ1 (0.41) FAAHLMNAMAPTSMN1; SMN2

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
WO-2013072903-A1 NITROIMIDAZOXADIAZOCINE COMPOUNDS ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) 2013-05-23 WO claimed