SCHEMBL9874472

SCHEMBL9874472

CCCN(CCC)C(=O)N(C)c1c(C(=O)c2ccccc2)cnc2cccnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
ALDH1A1 P00352 5/20 0.35
NPSR1 Q6W5P4 4/20 0.35
HTT P42858 3/20 0.35
MAPT P10636 2/20 0.35
CCNE2 O96020 3/20 0.35
CCNE1 P24864 3/20 0.35
CDK2 P24941 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TP53 P04637 2/20 0.35
CCNB2 O95067 2/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
CCNB3 Q8WWL7 2/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL9874916 0.81 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1ALDH1A1NPSR1HTT
SCHEMBL9875417 0.78 MEN1 (0.50) SMN1; SMN2ALDH1A1NPSR1HTTMAPT
SCHEMBL9874474 0.78 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1ALDH1A1NPSR1HTT
SCHEMBL10457512 0.72 MELK (0.40) SMN1; SMN2L3MBTL1ALDH1A1HTTMAPT
SCHEMBL9872674 0.71 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1NPSR1HTTMAPT
SCHEMBL9874920 0.71 TDP1 (0.47) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9873674 0.70 KMT2A (0.42) SMN1; SMN2ALDH1A1NPSR1HTTMAPT
SCHEMBL7212183 0.68 ALDH1A1 (0.53) SMN1; SMN2L3MBTL1ALDH1A1HTTMAPT
SCHEMBL9381137 0.67 GABRP (0.39) SMN1; SMN2L3MBTL1ALDH1A1HTTMEN1
SCHEMBL11264529 0.65 TP53 (0.52) SMN1; SMN2L3MBTL1ALDH1A1NPSR1HTT

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