SCHEMBL28033467

SCHEMBL28033467

CC(=O)Oc1nc2ccccc2nc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
ALOX5 P09917 1/20 0.44
GLA P06280 1/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.42
PDE10A Q9Y233 1/20 0.42
NPC1 O15118 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 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
SCHEMBL5789220 0.80 ALDH1A1 (0.62) KDM4EL3MBTL1TSHRSMN1; SMN2ALDH1A1
SCHEMBL29113961 0.77 HTT (0.50) KDM4ETSHRGAASMN1; SMN2POLB
SCHEMBL6630173 0.77 KDM4E (0.64) KDM4EL3MBTL1GAASMN1; SMN2POLB
SCHEMBL27894276 0.77 KDM4E (0.48) KDM4ETSHRGAAALDH1A1CYP1A2
SCHEMBL5652651 0.76 L3MBTL1 (0.48) KDM4EL3MBTL1TSHRSMN1; SMN2ALDH1A1
SCHEMBL9621256 0.76 SMN1; SMN2 (0.38) TSHRSMN1; SMN2ALDH1A1ALOX5LMNA
SCHEMBL804981 0.74 TSHR (0.61) KDM4EL3MBTL1TSHRSMN1; SMN2POLB
SCHEMBL1462677 0.73 ALDH1A1 (0.47) KDM4EL3MBTL1GAASMN1; SMN2POLB
SCHEMBL1278314 0.73 PDE10A (0.57) KDM4ETSHRGAASMN1; SMN2POLB
SCHEMBL5789435 0.71 KDM4E (0.47) KDM4ETSHRGAASMN1; SMN2ALDH1A1

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