SCHEMBL469800

SCHEMBL469800

CCCN(CCC)c1nc(N(CCN)CCN)nc(N(CCN)CCN)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CRHR1 P34998 5/20 0.37
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC29A1 Q99808 5/20 0.34
CTH P32929 1/20 0.31

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
SCHEMBL428295 1.00 MAPT (0.55) MAPTSMN1; SMN2CRHR1LMNAMEN1
SCHEMBL12756272 0.87 MAPT (0.67) MAPTSMN1; SMN2CRHR1LMNAMEN1
SCHEMBL469796 0.87 MAPT (0.38) MAPTSMN1; SMN2TSHRTDP1SLC29A1
SCHEMBL17706659 0.78 MAPT (0.57) MAPTSMN1; SMN2CRHR1TSHRTDP1
SCHEMBL428397 0.77 MAPT (0.42) MAPTSMN1; SMN2CRHR1MEN1KMT2A
SCHEMBL31530718 0.76 MAPT (0.55) MAPTSMN1; SMN2CRHR1LMNAMEN1
SCHEMBL18460471 0.76 MAPT (0.55) MAPTSMN1; SMN2CRHR1LMNATSHR
SCHEMBL20991400 0.76 MAPT (0.55) MAPTSMN1; SMN2CRHR1LMNATSHR
SCHEMBL19982856 0.76 MAPT (0.55) MAPTSMN1; SMN2CRHR1LMNAMEN1
SCHEMBL2780687 0.76 MAPT (0.50) MAPTSMN1; SMN2CRHR1LMNAMEN1

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
WO-2012033607-A1 METHODS OF REMOVING CARBON DIOXIDE AND SORBENTS FOR SAME BATTELLE ENERGY ALLIANCE, LLC (US) 2012-03-15 WO disclosed