SCHEMBL8334477

SCHEMBL8334477

COc1ccc(N)cc1NC(=O)NC(C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.59
MEN1 O00255 9/20 0.59
LMNA P02545 4/20 0.59
POLB P06746 2/20 0.59
MAPK1 P28482 2/20 0.59
MAPT P10636 8/20 0.52
HPGD P15428 2/20 0.52
BLM P54132 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
TP53 P04637 2/20 0.51
ALDH1A1 P00352 6/20 0.50
HTT P42858 1/20 0.48
KCNMA1 Q12791 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6715520 0.92 MEN1 (0.69) KMT2AMEN1LMNAPOLBMAPK1
SCHEMBL6719557 0.89 KMT2A (0.67) KMT2AMEN1LMNAPOLBMAPK1
SCHEMBL6719654 0.88 MEN1 (0.66) KMT2AMEN1LMNAPOLBMAPK1
SCHEMBL6719353 0.88 MEN1 (0.66) KMT2AMEN1LMNAPOLBMAPK1
SCHEMBL6726961 0.88 MEN1 (0.66) KMT2AMEN1LMNAPOLBMAPK1
SCHEMBL6719596 0.87 MEN1 (0.64) KMT2AMEN1LMNAPOLBMAPK1
SCHEMBL6719997 0.87 MEN1 (0.64) KMT2AMEN1LMNAPOLBMAPK1
SCHEMBL6718096 0.87 MEN1 (0.64) KMT2AMEN1LMNAPOLBMAPK1
SCHEMBL6726796 0.86 KMT2A (0.62) KMT2AMEN1LMNAPOLBMAPK1
SCHEMBL6719705 0.84 MEN1 (0.61) KMT2AMEN1LMNAPOLBMAPK1

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-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed