SCHEMBL28844934

SCHEMBL28844934

Cc1ccc2c(c1)C(=O)c1cccc(NCCCN(C)C)c1C2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
MAPT P10636 4/20 0.58
MAPK1 P28482 3/20 0.58
MEN1 O00255 3/20 0.58
ALDH1A1 P00352 3/20 0.58
RAD52 P43351 3/20 0.58
KMT2A Q03164 3/20 0.58
EGFR P00533 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
POLB P06746 2/20 0.58
HTT P42858 2/20 0.58
BLM P54132 2/20 0.58
LMNA P02545 1/20 0.58
RECQL P46063 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
BRCA1 P38398 1/20 0.55
HIF1A Q16665 1/20 0.55
TERT O14746 3/20 0.50
NSD2 O96028 1/20 0.50
FGB P02675 1/20 0.50

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
SCHEMBL20473193 0.89 TOP2B (0.56) SMN1; SMN2MAPTMAPK1MEN1ALDH1A1
SCHEMBL31218593 0.89 MAPT (0.71) SMN1; SMN2MAPTMAPK1MEN1ALDH1A1
SCHEMBL3420790 0.87 SMN1; SMN2 (0.64) SMN1; SMN2MAPTMAPK1MEN1ALDH1A1
SCHEMBL3853558 0.86 TERT (0.63) SMN1; SMN2MAPTMAPK1MEN1ALDH1A1
SCHEMBL20334281 0.81 SMN1; SMN2 (0.55) SMN1; SMN2MAPTMAPK1MEN1ALDH1A1
SCHEMBL31218585 0.81 MAPT (0.63) SMN1; SMN2MAPTMAPK1MEN1ALDH1A1
SCHEMBL3418752 0.81 MAPT (0.63) SMN1; SMN2MAPTMAPK1MEN1ALDH1A1
SCHEMBL13434544 0.80 SMN1; SMN2 (0.59) SMN1; SMN2MAPTMAPK1MEN1ALDH1A1
SCHEMBL18984755 0.79 SMN1; SMN2 (0.67) SMN1; SMN2MAPTMAPK1MEN1ALDH1A1
SCHEMBL30818304 0.79 SMN1; SMN2 (0.67) SMN1; SMN2MAPTMAPK1MEN1ALDH1A1

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
CN-110536704-B Tissue targeting complexes 帕瑞姆普公司 2022-09-27 CN disclosed