SCHEMBL1286899

SCHEMBL1286899

CCCCCCCCN(N)c1nc(N)nc(N(CCCCCCCC)CCCCCCCC)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
SLC29A1 Q99808 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DNM1 Q05193 3/20 0.32
CRHR1 P34998 3/20 0.32
CTH P32929 1/20 0.31
NOS1 P29475 1/20 0.31
DHFR P00374 1/20 0.31
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30

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
SCHEMBL1286890 1.00 MAPT (0.37) MAPTSLC29A1SMN1; SMN2MEN1LMNA
SCHEMBL1286897 0.93 MAPT (0.39) MAPTSLC29A1SMN1; SMN2MEN1LMNA
SCHEMBL8654321 0.91 MAPT (0.42) MAPTSLC29A1SMN1; SMN2MEN1LMNA
SCHEMBL28561296 0.90 DNM1 (0.37) MAPTSLC29A1SMN1; SMN2LMNADNM1
SCHEMBL27906500 0.88 SLC29A1 (0.41) MAPTSLC29A1SMN1; SMN2MEN1LMNA
SCHEMBL3809519 0.88 CTH (0.35) MAPTSLC29A1SMN1; SMN2LMNADNM1
SCHEMBL1081509 0.86 SLC29A1 (0.42) MAPTSLC29A1SMN1; SMN2MEN1LMNA
SCHEMBL2835526 0.83 SLC29A1 (0.54) MAPTSLC29A1SMN1; SMN2MEN1LMNA
SCHEMBL6691989 0.81 MAPT (0.44) MAPTSLC29A1MEN1LMNAKMT2A
Formaldehyde SCHEMBL5789084 0.81 SLC29A1 (0.40) MAPTSLC29A1SMN1; SMN2MEN1LMNA

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