SCHEMBL20334281

SCHEMBL20334281

CN(C)CCCNc1cccc2c1C(=O)c1cccc(NCCC[N+](C)(C)C)c1C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
EGFR P00533 2/20 0.55
MAPT P10636 2/20 0.55
MAPK1 P28482 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 2/20 0.55
POLB P06746 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
RAD52 P43351 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NSD2 O96028 1/20 0.53
FGB P02675 1/20 0.53
MMP14 P50281 1/20 0.53
BRCA1 P38398 1/20 0.52
HIF1A Q16665 1/20 0.52

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
SCHEMBL25937776 0.91 NSD2 (0.58) SMN1; SMN2EGFRMAPTMAPK1L3MBTL1
SCHEMBL3420790 0.91 SMN1; SMN2 (0.64) SMN1; SMN2EGFRMAPTMAPK1L3MBTL1
SCHEMBL31218593 0.87 MAPT (0.71) SMN1; SMN2EGFRMAPTMAPK1L3MBTL1
SCHEMBL25937202 0.86 TERT (0.57) SMN1; SMN2EGFRMAPTMAPK1L3MBTL1
SCHEMBL3853558 0.86 TERT (0.63) SMN1; SMN2EGFRMAPTMAPK1L3MBTL1
SCHEMBL13434544 0.83 SMN1; SMN2 (0.59) SMN1; SMN2EGFRMAPTMAPK1L3MBTL1
SCHEMBL18984696 0.82 SMN1; SMN2 (0.55) SMN1; SMN2EGFRMAPTMAPK1L3MBTL1
Sulfuric Acid SCHEMBL11512562 0.82 MAPT (0.58) SMN1; SMN2EGFRMAPTMAPK1L3MBTL1
Sulfuric Acid SCHEMBL11512567 0.82 MEN1 (0.55) SMN1; SMN2EGFRMAPTMAPK1L3MBTL1
SCHEMBL3418821 0.82 TERT (0.61) SMN1; SMN2EGFRMAPTMAPK1L3MBTL1

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
EP-3558235-B1 USE OF ANTHRAQUINONE DYES AND OF FLUORESCENT DYES FOR DYEING KERATIN FIBRES, DYEING PROCESS AND COMPOSITION OREAL (FR) 2021-09-08 EP disclosed
WO-2018115337-A1 USE OF ANTHRAQUINONE DYES AND OF FLUORESCENT DYES FOR DYEING KERATIN FIBRES, DYEING PROCESS AND COMPOSITION L'OREAL (FR) 2018-06-28 WO disclosed