SCHEMBL28093072

SCHEMBL28093072

CCCCCCCCCCc1cc(O)ccc1N=Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP3A4 P08684 3/20 0.51
TYR P14679 2/20 0.51
TP53 P04637 2/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45

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
SCHEMBL28093073 0.83 LIPG (0.47) ALOX5MAPTMEN1KMT2ACYP3A4
SCHEMBL10431204 0.82 LIPG (0.49) CYP3A4ALDH1A1LIPGBIDMCL1
SCHEMBL28170227 0.82 LIPG (0.49) CYP3A4ALDH1A1LIPGBIDMCL1
SCHEMBL28224513 0.82 LIPG (0.49) CYP3A4ALDH1A1LIPGBIDMCL1
SCHEMBL16100132 0.81 CYP3A4 (0.46) ALOX5CYP3A4ALDH1A1LIPGPTGS2
SCHEMBL5188567 0.80 LTA4H (0.46) ALOX5TP53TSHR
Nitrogen SCHEMBL16700966 0.78 CYP3A4 (0.44) ALOX5CYP3A4ALDH1A1LIPGPTGS2
SCHEMBL29811190 0.77 MEN1 (0.57) MAPTMEN1KMT2ACYP3A4TP53
SCHEMBL28862829 0.77 CYP3A4 (0.50) ALOX5MAPTMEN1KMT2ACYP3A4
SCHEMBL9711525 0.76 RPS6KA3 (0.50) ALOX5MAPTMEN1KMT2ACYP3A4

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-104059114-B Glucosides containing azobenzene and preparation method and application 完美(中国)有限公司 2016-08-24 CN disclosed