SCHEMBL1286897

SCHEMBL1286897

CCCCN(N)c1nc(N)nc(N(CCCC)CCCC)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
SLC29A1 Q99808 4/20 0.36
CRHR1 P34998 3/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DHFR P00374 2/20 0.33
CTH P32929 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 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
SCHEMBL1286899 0.93 MAPT (0.37) MAPTSMN1; SMN2SLC29A1CRHR1MEN1
SCHEMBL1286890 0.93 MAPT (0.37) MAPTSMN1; SMN2SLC29A1CRHR1MEN1
SCHEMBL1032549 0.87 SLC29A1 (0.41) MAPTSMN1; SMN2SLC29A1CRHR1MEN1
SCHEMBL8654321 0.83 MAPT (0.42) MAPTSMN1; SMN2SLC29A1CRHR1MEN1
SCHEMBL3809519 0.83 CTH (0.35) MAPTSMN1; SMN2SLC29A1LMNADHFR
SCHEMBL2838653 0.82 SLC29A1 (0.54) MAPTSMN1; SMN2SLC29A1MEN1KMT2A
SCHEMBL28561296 0.81 DNM1 (0.37) MAPTSMN1; SMN2SLC29A1LMNADHFR
SCHEMBL1081509 0.81 SLC29A1 (0.42) MAPTSMN1; SMN2SLC29A1CRHR1MEN1
SCHEMBL5355585 0.80 MAPT (0.50) MAPTSMN1; SMN2SLC29A1CRHR1MEN1
SCHEMBL13250500 0.80 CRHR1 (0.49) MAPTSMN1; SMN2SLC29A1CRHR1MEN1

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-2012047630-A2 N-ALKYL OR N-ARYL SUBSTITUTED GUANIDE AND BIGUANIDE COMPOUNDS AND METHODS OF THEIR USE TEINTZE MARTIN (US) 2012-04-12 WO disclosed