SCHEMBL27734571

SCHEMBL27734571

c1ccc(-c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 10/20 1.00
PIK3CA P42336 10/20 1.00
MEN1 O00255 6/20 0.66
ALDH1A1 P00352 6/20 0.66
POLB P06746 6/20 0.66
MAPT P10636 6/20 0.66
KMT2A Q03164 6/20 0.66
L3MBTL1 Q9Y468 5/20 0.66
TDP1 Q9NUW8 5/20 0.66
KDM4E B2RXH2 5/20 0.66
BLM P54132 5/20 0.66
PTPN7 P35236 5/20 0.66
RECQL P46063 4/20 0.66
HPGD P15428 4/20 0.66
ALOX15 P16050 3/20 0.66
CASP1 P29466 3/20 0.66
CASP7 P55210 3/20 0.66
HSD17B10 Q99714 3/20 0.66
PKM P14618 2/20 0.66
TSHR P16473 1/20 0.66

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
SCHEMBL28079386 0.83 MEN1 (0.81) PIK3R1PIK3CAMEN1ALDH1A1POLB
SCHEMBL27734202 0.80 MEN1 (1.00) PIK3R1PIK3CAMEN1ALDH1A1POLB
SCHEMBL9613362 0.80 PTPN7 (0.88) PIK3R1PIK3CAMEN1ALDH1A1POLB
SCHEMBL7696747 0.79 TDP1 (1.00) PIK3R1PIK3CAMEN1ALDH1A1POLB
SCHEMBL15665921 0.79 ALDH1A1 (0.87) PIK3R1PIK3CAMEN1ALDH1A1POLB
SCHEMBL12462566 0.79 ALDH1A1 (0.66) PIK3R1PIK3CAMEN1ALDH1A1MAPT
SCHEMBL27734154 0.79 ALDH1A1 (0.66) PIK3R1PIK3CAMEN1ALDH1A1MAPT
SCHEMBL6238182 0.77 PIK3R1 (0.66) PIK3R1PIK3CAMEN1ALDH1A1POLB
SCHEMBL6235497 0.77 PIK3R1 (0.66) PIK3R1PIK3CAMEN1ALDH1A1POLB
SCHEMBL1301829 0.77 ALDH1A1 (0.68) PIK3R1PIK3CAMEN1ALDH1A1MAPT

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-101318938-B Method for synthesizing quinoxaline derivant UNIV SUZHOU 2010-08-25 CN disclosed
CN-101318938-A Method for synthesizing quinoxaline derivant UNIV SOOCHOW (CN) 2008-12-10 CN disclosed