SCHEMBL11021202

SCHEMBL11021202

COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.55
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
RXFP1 Q9HBX9 1/20 0.49
AGTR1 P30556 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
ABCB1 P08183 1/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
MAPK1 P28482 1/20 0.46
PDE4D Q08499 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLK1 P53350 1/20 0.45

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
SCHEMBL4037805 0.86 ALDH1A1 (0.49) SLC6A4ALDH1A1KMT2AMEN1RXFP1
SCHEMBL8755657 0.81 SLC6A4 (0.50) SLC6A4ALDH1A1KMT2AMEN1MAPT
SCHEMBL30800091 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTMAPK1L3MBTL1
SCHEMBL2878741 0.80 MEN1 (0.65) SLC6A4ALDH1A1KMT2AMEN1MAPT
SCHEMBL29441715 0.80 MEN1 (0.65) SLC6A4ALDH1A1KMT2AMEN1MAPT
SCHEMBL6435858 0.80 SLC6A4 (0.54) SLC6A4ALDH1A1KMT2AMEN1MAPT
SCHEMBL29735406 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EMAPT
SCHEMBL3712306 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EMAPT
SCHEMBL3913268 0.79 PLG (0.59) SLC6A4ALDH1A1KMT2AMEN1MAPT
SCHEMBL20557352 0.79 PDE4D (0.49) ALDH1A1KMT2AMEN1MAPTPOLB

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
EP-0145956-A1 Composés amidés CIBA-GEIGY AG (CH) 1985-06-26 EP disclosed