SCHEMBL6558971

SCHEMBL6558971

CCCc1n[nH]c(N)c1CNC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41
GFER P55789 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPKAPK2 P49137 5/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
CYP1A2 P05177 1/20 0.35
PARP1 P09874 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
HTT P42858 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
KDM4A O75164 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
SCHEMBL6559444 0.78 KDM4E (0.48) KDM4ELMNANPSR1GFERALDH1A1
SCHEMBL6557080 0.76 AGTR1 (0.39) KDM4ELMNANPSR1GFERALDH1A1
SCHEMBL6007089 0.71 KDM4E (0.46) KDM4ELMNANPSR1GFERALDH1A1
SCHEMBL6004882 0.71 KDM4E (0.46) KDM4ELMNANPSR1GFERALDH1A1
SCHEMBL27282842 0.69 MAPKAPK2 (0.46) KDM4ELMNAMAPKAPK2CACNA1HCACNA1B
SCHEMBL5499877 0.69 NPSR1 (0.39) KDM4ELMNANPSR1GFERALDH1A1
SCHEMBL22535990 0.69 TDP1 (0.44) KDM4ELMNAGFERL3MBTL1HTT
SCHEMBL22198948 0.68 KDM4E (0.48) KDM4ELMNANPSR1GFERALDH1A1
SCHEMBL22535987 0.67 TDP1 (0.46) KDM4ELMNANPSR1GFERL3MBTL1
SCHEMBL24376424 0.67 GRM2 (0.52) KDM4ELMNANPSR1GFERPRMT5

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-1392704-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-03 EP disclosed
WO-2002090364-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed