SCHEMBL17770528

SCHEMBL17770528

O=[N+]([O-])c1nc(CC(O)CN2CC2)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.33
IGF1R P08069 1/20 0.33
BAX Q07812 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
PRMT5 O14744 2/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
HSP90AB1 P08238 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
DRD4 P21917 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL3814861 0.93 KMT2A (0.40) L3MBTL1TDP1MAPTALDH1A1KMT2A
SCHEMBL11564798 0.85 OPRK1 (0.35) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL3811168 0.80 ALDH1A1 (0.39) ALDH1A1
SCHEMBL4635643 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5681436 0.77 ALDH1A1 (0.44) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL5681615 0.77 ALDH1A1 (0.44) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL5682636 0.77 ALDH1A1 (0.44) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL6131556 0.75
SCHEMBL11569408 0.73 CA1 (0.30)
SCHEMBL1126117 0.72 KDM4E (0.39) HTTALDH1A1KMT2AKDM4E

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-3220919-A1 ANTIBACTERIAL COMPOUNDS Victoria Link Limited (NZ) 2017-09-27 EP disclosed
WO-2016080846-A1 ANTIBACTERIAL COMPOUNDS COPP JANINE NAOMI (NZ) 2016-05-26 WO disclosed