SCHEMBL5371885

SCHEMBL5371885

NC(=O)CCCN1CCCCCN1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.33
CA2 P00918 1/20 0.33
CHKA P35790 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6195936 0.98 L3MBTL1 (0.46) L3MBTL1CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL3237370 0.79 L3MBTL1 (0.39) L3MBTL1SMN1; SMN2CA2CHKAALDH1A1
SCHEMBL27632519 0.79 MAPT (0.50) L3MBTL1CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL29187447 0.74 L3MBTL1 (0.47) L3MBTL1CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL493879 0.72 L3MBTL1 (0.79) L3MBTL1CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL29569270 0.72 ALOX15 (0.35)
SCHEMBL2415282 0.72 MEN1 (0.33) CA2CHKAMEN1KMT2A
SCHEMBL29569422 0.72 ALOX15 (0.35)
Hydrochloric Acid SCHEMBL2710255 0.71 L3MBTL1 (0.76) L3MBTL1CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL27293688 0.71 ALOX5 (0.41) L3MBTL1MEN1KMT2ATDP1

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
WO-2007142431-A1 NEW NON-PEPTIDE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2007-12-13 WO claimed
WO-2007142431-A1 NEW NON-PEPTIDE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2007-12-13 WO disclosed