SCHEMBL28079387

SCHEMBL28079387

c1ccc(-c2nc3ccccc3nc2C2CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
PDE10A Q9Y233 2/20 0.49
LCK P06239 1/20 0.49
KDM4E B2RXH2 3/20 0.46
PKM P14618 1/20 0.46
NPY5R Q15761 1/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
PDE5A O76074 1/20 0.43
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL12146723 0.89 TDP1 (0.48) L3MBTL1TDP1PDE10ALCKKDM4E
SCHEMBL12146715 0.89 TDP1 (0.48) L3MBTL1TDP1PDE10ALCKKDM4E
SCHEMBL12146721 0.87 TDP1 (0.46) L3MBTL1TDP1PDE10ALCKKDM4E
SCHEMBL12146725 0.85 TDP1 (0.45) L3MBTL1TDP1PDE10ALCKKDM4E
SCHEMBL28079612 0.84 TDP1 (0.49) L3MBTL1TDP1PDE10ALCKKDM4E
SCHEMBL14565646 0.82 HPGD (0.66) L3MBTL1TDP1KDM4EPKMLMNA
SCHEMBL14565645 0.82 HPGD (0.66) L3MBTL1TDP1KDM4EPKMLMNA
SCHEMBL28638010 0.82 PDE10A (0.46) L3MBTL1TDP1PDE10AKDM4EPKM
SCHEMBL1933769 0.81 TDP1 (0.46) L3MBTL1TDP1PDE10ALCKNPY5R
SCHEMBL7699018 0.79 PDE10A (0.49) L3MBTL1TDP1PDE10AKDM4EPKM

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
CN-105693632-B A kind of preparation method of polysubstituted quinoxaline derivant 华侨大学 2018-04-17 CN disclosed
CN-105693632-A Preparation method of polysubstitution quinoxalin derivatives 华侨大学 2016-06-22 CN disclosed