SCHEMBL28292420

SCHEMBL28292420

Cc1c(N)ccc(Nc2ccc(N=O)cc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
HSD17B10 Q99714 6/20 0.46
TDP1 Q9NUW8 6/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 12/20 0.41
KDM4E B2RXH2 9/20 0.41
GAA P10253 8/20 0.41
GFER P55789 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 8/20 0.35
THRB P10828 4/20 0.35
HPGD P15428 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GLA P06280 1/20 0.35
RCE1 Q9Y256 1/20 0.35
MEN1 O00255 7/20 0.34
RECQL P46063 3/20 0.34

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
SCHEMBL2035899 0.77 GAA (0.55) ALDH1A1HSD17B10TDP1CYP3A4TSHR
SCHEMBL4974758 0.71 RAPGEF4 (0.50) ALDH1A1HSD17B10TDP1CYP3A4TSHR
SCHEMBL28726135 0.71 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1CYP3A4TSHR
SCHEMBL9222906 0.70 ALDH1A1 (0.60) ALDH1A1HSD17B10TDP1CYP3A4TSHR
SCHEMBL9225008 0.70 ALDH1A1 (0.65) ALDH1A1HSD17B10TDP1CYP3A4TSHR
SCHEMBL5685218 0.70 ALDH1A1 (0.65) ALDH1A1HSD17B10TDP1CYP3A4TSHR
SCHEMBL15877112 0.69 GAA (0.33) ALDH1A1HSD17B10TDP1CYP3A4TSHR
SCHEMBL29467776 0.69 ALDH1A1 (0.53) ALDH1A1HSD17B10TDP1CYP3A4TSHR
SCHEMBL16601888 0.69 ALDH1A1 (0.44) ALDH1A1HSD17B10TDP1CYP3A4TSHR
SCHEMBL537959 0.67 ALDH1A1 (0.58) ALDH1A1HSD17B10TDP1CYP3A4TSHR

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-106219803-B A kind of carbon granule double layer filter reinforcing screening system based on biological activated carbon 徐州工程学院 2019-04-16 CN claimed
CN-106219803-B A kind of carbon granule double layer filter reinforcing screening system based on biological activated carbon 徐州工程学院 2019-04-16 CN disclosed