SCHEMBL7184525

SCHEMBL7184525

CCc1c(NC(=O)OC(C)(C)C)nc(C(=O)O)n1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GFER P55789 1/20 0.34
MAPK14 Q16539 1/20 0.34
ACSS2 Q9NR19 1/20 0.34
CNR2 P34972 1/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
CYP17A1 P05093 2/20 0.32
CA1 P00915 2/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL4756927 0.84 GSK3B (0.34) MAPK14ACSS2CNR2GSK3BDYRK1A
SCHEMBL2390281 0.84 GSK3B (0.33) CNR2GSK3BDYRK1A
SCHEMBL6780101 0.68 BRD4 (0.42) ACSS2MEN1GAAKMT2AOPRM1
SCHEMBL1986577 0.68 GSK3B (0.43) MAPK14ACSS2CNR2MEN1GAA
SCHEMBL16447788 0.68 PTGDR2 (0.40) KDM4ELMNAMAPK14CNR2MEN1
SCHEMBL5579359 0.66 CYP17A1 (0.46) MAPK14CYP17A1MAPKAPK2PTGDR2BRD4
SCHEMBL5579358 0.66 CYP17A1 (0.46) MAPK14CYP17A1MAPKAPK2PTGDR2BRD4
SCHEMBL7691178 0.66 LCK (0.47) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL22774622 0.65 CA1 (0.39) KDM4ELMNAALDH1A1GAACYP17A1
SCHEMBL18839126 0.64 DRD2 (0.40) ALDH1A1GFERMEN1GAAKMT2A

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-1290198-A2 VECTORS FOR DNA DELIVERY ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2003-03-12 EP disclosed
WO-2001088160-A2 VECTORS FOR DNA DELIVERY ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI, S.P.A. (IT) 2001-11-22 WO disclosed