SCHEMBL28079386

SCHEMBL28079386

c1ccc(-c2nc3ccccc3nc2-c2ccco2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.81
KMT2A Q03164 6/20 0.81
TDP1 Q9NUW8 5/20 0.81
L3MBTL1 Q9Y468 5/20 0.81
ALDH1A1 P00352 5/20 0.81
POLB P06746 5/20 0.81
MAPT P10636 5/20 0.81
KDM4E B2RXH2 5/20 0.81
RECQL P46063 4/20 0.81
BLM P54132 4/20 0.81
HPGD P15428 3/20 0.81
PTPN7 P35236 3/20 0.81
PKM P14618 2/20 0.81
ALOX15 P16050 2/20 0.81
CASP1 P29466 2/20 0.81
CASP7 P55210 2/20 0.81
HSD17B10 Q99714 2/20 0.81
TSHR P16473 1/20 0.81
PIK3R1 P27986 8/20 0.71
PIK3CA P42336 8/20 0.71

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
SCHEMBL27734202 0.90 MEN1 (1.00) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL28079538 0.83 MEN1 (0.57) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL27734571 0.83 PIK3R1 (1.00) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL15665921 0.81 ALDH1A1 (0.87) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL29382173 0.79 KDM4E (0.74) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL732131 0.79 KDM4E (0.74) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL8006645 0.78 ALDH1A1 (0.75) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL503307 0.78 MEN1 (0.75) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL865711 0.77 KDM4E (0.71) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL13950894 0.77 KDM4E (0.78) MEN1KMT2ATDP1L3MBTL1ALDH1A1

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