SCHEMBL29008478

SCHEMBL29008478

CCCc1c[nH]c(-c2ccc(OC)c(OC)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
GAA P10253 3/20 0.48
MPI P34949 1/20 0.48
GFER P55789 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 2/20 0.44
ALOX5 P09917 1/20 0.43
EPHX2 P34913 1/20 0.43
ADORA3 P0DMS8 2/20 0.42
KIT P10721 1/20 0.42
DYRK1A Q13627 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 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
SCHEMBL26093677 0.79 KDM4E (0.55) KDM4EALDH1A1GAAMPIGFER
SCHEMBL30387478 0.79 KDM4E (0.55) KDM4EALDH1A1GAAMPIGFER
SCHEMBL10697621 0.76 KDM4E (0.59) KDM4EALDH1A1GAAMPIGFER
SCHEMBL1613151 0.76 ALDH1A1 (0.47) KDM4EALDH1A1GAAMPIGFER
SCHEMBL24088760 0.74 NPC1 (0.45) KDM4EMAPK1MAPTMEN1KMT2A
SCHEMBL13115362 0.74 NPC1 (0.42) KDM4EALDH1A1GAAHPGD
SCHEMBL13803942 0.74 HTT (0.42) KDM4EALDH1A1GAAMPIGFER
SCHEMBL12374645 0.74 MAPT (0.51) KDM4EALDH1A1MAPK1HSD17B10MAPT
SCHEMBL29008462 0.74 ALDH1A1 (0.50) KDM4EALDH1A1GAAMPIHSD17B10
SCHEMBL535052 0.73 PDE5A (0.44) KDM4EALDH1A1GAAHSD17B10MAPT

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-116194537-A Combination therapy with adenosine receptor antagonists 泰昂治疗公司 2023-05-30 CN disclosed