SCHEMBL9874474

SCHEMBL9874474

CCCN(CCC)C(=O)CNc1c(C(=O)c2ccccc2)cnc2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CHRNA7 P36544 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.35
CCNE2 O96020 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 2/20 0.34

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
SCHEMBL9381137 0.80 GABRP (0.39) SMN1; SMN2L3MBTL1ALDH1A1HTTMEN1
SCHEMBL9875424 0.79 MEN1 (0.52) SMN1; SMN2L3MBTL1ALDH1A1HTTNPSR1
SCHEMBL9874472 0.78 SMN1; SMN2 (0.37) SMN1; SMN2L3MBTL1ALDH1A1HTTNPSR1
SCHEMBL10678542 0.72 KMT2A (0.67) SMN1; SMN2L3MBTL1ALDH1A1NPSR1MAPT
SCHEMBL9872674 0.70 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1HTTNPSR1MAPT
SCHEMBL7212190 0.70 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1ALDH1A1MAPTMEN1
SCHEMBL9873674 0.69 KMT2A (0.42) SMN1; SMN2ALDH1A1HTTNPSR1MAPT
SCHEMBL10682320 0.68 MEN1 (0.57) SMN1; SMN2L3MBTL1ALDH1A1HTTNPSR1
SCHEMBL7496148 0.68 CYP1A2 (0.51) SMN1; SMN2L3MBTL1ALDH1A1HTTMAPT
Water SCHEMBL10680272 0.67 MAPK1 (0.53) SMN1; SMN2L3MBTL1ALDH1A1HTTNPSR1

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
US-5026711-A Prevention and treatment of cardiovascular disorders and infections states; anxiolytic and anti-allergic agents SANOFI (FR) 1991-06-25 US disclosed