SCHEMBL11272027

SCHEMBL11272027

CN(C)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.70
RAB9A P51151 2/20 0.69
L3MBTL1 Q9Y468 4/20 0.68
MAPT P10636 4/20 0.68
MAPK1 P28482 2/20 0.68
TDP1 Q9NUW8 1/20 0.68
ALDH1A1 P00352 3/20 0.65
KDM4E B2RXH2 2/20 0.65
NPSR1 Q6W5P4 1/20 0.65
TP53 P04637 1/20 0.58
NPC1 O15118 2/20 0.56
POLB P06746 1/20 0.55
TNF P01375 1/20 0.53
NOD1 Q9Y239 1/20 0.53
KDR P35968 4/20 0.51
MAPK14 Q16539 4/20 0.51
TNNI3K Q59H18 4/20 0.51
BRAF P15056 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL11271819 0.90 GAA (0.67) GAARAB9AL3MBTL1MAPTMAPK1
SCHEMBL11572993 0.85 TP53 (0.77) RAB9ATP53POLBKDRMAPK14
SCHEMBL11276153 0.85 TP53 (0.68) TP53KDRMAPK14TNNI3KBRAF
SCHEMBL30002112 0.83 GAA (0.78) GAARAB9AL3MBTL1MAPTMAPK1
SCHEMBL10310308 0.81 GAA (0.67) GAARAB9AL3MBTL1MAPTMAPK1
SCHEMBL11404638 0.79 GAA (0.68) GAARAB9AL3MBTL1MAPTMAPK1
SCHEMBL6235785 0.78 TP53 (0.62) RAB9AMAPTKDM4ETP53NPC1
SCHEMBL11688772 0.78 LIPE (0.51) MAPTKDM4EMEN1KMT2A
SCHEMBL11345354 0.78 TP53 (0.62) GAAL3MBTL1MAPTALDH1A1KDM4E
SCHEMBL14784814 0.78 GAA (0.74) GAARAB9AL3MBTL1MAPTMAPK1

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
US-4334912-A HERBICIDES WHICH ARE NONPHYTOTOXIC TO CROPS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-06-15 US claimed
US-4334912-A HERBICIDES WHICH ARE NONPHYTOTOXIC TO CROPS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-06-15 US disclosed