SCHEMBL6477382

SCHEMBL6477382

CCOC(=O)c1cccnc1N(C)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 5/20 0.52
SLC26A6 Q9BXS9 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.51
TSHR P16473 2/20 0.50
PPIA P62937 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
POLB P06746 1/20 0.47
RPS6KB1 P23443 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL10866338 0.82 TSHR (0.56) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL4838619 0.80 TSHR (0.57) KMT2AMEN1ATML3MBTL1ALDH1A1
SCHEMBL21639478 0.78 MEN1 (0.48) KMT2AMEN1ATML3MBTL1ALDH1A1
SCHEMBL12929653 0.77 ALDH1A1 (0.77) KMT2AMEN1ATML3MBTL1ALDH1A1
SCHEMBL17595922 0.76 L3MBTL1 (0.58) KMT2AL3MBTL1ALDH1A1HTTTSHR
SCHEMBL1522806 0.76 L3MBTL1 (0.55) KMT2AL3MBTL1ALDH1A1MAPTHTT
SCHEMBL3516526 0.76 L3MBTL1 (0.55) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL25728058 0.75 KDM4E (0.57) KMT2AMEN1ATML3MBTL1ALDH1A1
SCHEMBL16236403 0.75 L3MBTL1 (0.54) KMT2AL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL3519261 0.75 L3MBTL1 (0.54) KMT2AMEN1L3MBTL1ALDH1A1MAPT

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
WO-2005107744-A1 NERVE DAMAGE ROELANTS, IVO (BE) 2005-11-17 WO disclosed