SCHEMBL7464075

SCHEMBL7464075

COC(=O)c1nc(C)n(O)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
F2 P00734 2/20 0.38
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.33
NOTUM Q6P988 1/20 0.33
MAPK1 P28482 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
SCHEMBL6855288 0.81 KMT2A (0.54) KMT2AALDH1A1GAAHPGDL3MBTL1
SCHEMBL14186810 0.80 NPSR1 (0.41) NPSR1F2KMT2AALDH1A1KDM4E
SCHEMBL6856109 0.77 TDP1 (0.42) KMT2AALDH1A1KDM4EMEN1L3MBTL1
SCHEMBL18572717 0.75 NPSR1 (0.60) NPSR1KMT2AALDH1A1KDM4EMEN1
SCHEMBL28478763 0.72 NPSR1 (0.50) NPSR1KMT2AALDH1A1KDM4EMEN1
SCHEMBL9461176 0.70 KDM4E (0.53) NPSR1KMT2AALDH1A1KDM4EMEN1
SCHEMBL3172528 0.67 NPSR1 (0.50) NPSR1KMT2AALDH1A1KDM4EMEN1
SCHEMBL18420706 0.67 NPSR1 (0.44) NPSR1KMT2AALDH1A1KDM4EMEN1
SCHEMBL14434341 0.67 NPSR1 (0.44) NPSR1F2KMT2AALDH1A1KDM4E
SCHEMBL23295551 0.67 NPSR1 (0.40) NPSR1F2KMT2AALDH1A1KDM4E

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
EP-1186599-A1 NOVEL PROCESSES FOR THE PREPARATION OF SUBSTITUTED PROPENONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-03-13 EP disclosed