SCHEMBL28033469

SCHEMBL28033469

Cc1nc2ccccc2nc1C(=O)OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 6/20 0.51
TDP1 Q9NUW8 4/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 7/20 0.49
LMNA P02545 4/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48

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
SCHEMBL21572853 0.91 TDP1 (0.58) L3MBTL1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL19936505 0.89 TDP1 (0.59) L3MBTL1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL19928470 0.88 TDP1 (0.54) L3MBTL1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL17657660 0.85 TDP1 (0.51) L3MBTL1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL2025252 0.84 LMNA (0.57) L3MBTL1KMT2ASMN1; SMN2TSHRRAB9A
SCHEMBL20201221 0.81 TDP1 (0.50) L3MBTL1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL21424372 0.81 TDP1 (0.50) L3MBTL1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL27303694 0.81 L3MBTL1 (0.55) L3MBTL1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL24090784 0.79 POLB (0.55) L3MBTL1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL20880260 0.79 POLB (0.51) L3MBTL1KMT2ATDP1SLC6A2SLC6A3

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
CN-105061338-A 3-methyl-quinoxaline-2-carboxylic acid chemical synthesis method based on ionic liquid system PINGYUAN WEIFENG YONGZHU TECHNOLOGY CO LTD 2015-11-18 CN disclosed