SCHEMBL6422009

SCHEMBL6422009

O=CN1CCN2CCN(CCN(C(Cc3ccccc3)C(=O)O)CC1)C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
ALDH1A1 P00352 4/20 0.49
PKM P14618 2/20 0.49
GAA P10253 2/20 0.46
HSD17B10 Q99714 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 4/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTPN7 P35236 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL6420408 0.92 LMNA (0.66) LMNAALDH1A1PKMGAAHSD17B10
SCHEMBL2931120 0.85 LMNA (0.58) LMNAALDH1A1PKMGAAHSD17B10
SCHEMBL2905656 0.83 LMNA (0.56) LMNAALDH1A1PKMGAAHSD17B10
SCHEMBL6421089 0.81 HSD17B10 (0.34) LMNAALDH1A1HSD17B10MAPTKDM4E
SCHEMBL9277493 0.78 LMNA (0.71) LMNAALDH1A1PKMGAAHSD17B10
SCHEMBL9515787 0.76 LMNA (0.72) LMNAALDH1A1PKMGAAHSD17B10
SCHEMBL19025301 0.76 LMNA (0.68) LMNAALDH1A1PKMGAAHSD17B10
SCHEMBL4434773 0.76 LMNA (0.68) LMNAALDH1A1PKMGAAHSD17B10
SCHEMBL4143905 0.75 LMNA (0.71) LMNAALDH1A1PKMGAAHSD17B10
Hydrochloric Acid SCHEMBL9096753 0.74 LMNA (0.69) LMNAALDH1A1PKMGAAHSD17B10

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-1047677-B1 Process for the preparation of derivatives of 1,4,7,10-tetraazacyclododecane-1,4-diacetic acid BRACCO SPA (IT) 2005-07-20 EP claimed