SCHEMBL30108073

SCHEMBL30108073

CSc1nc(-c2ccco2)cc(-n2nnc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
BLM P54132 2/20 0.33
POLB P06746 2/20 0.33
GAPDH P04406 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
NR4A1 P22736 1/20 0.33
PTPN7 P35236 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL30108040 0.82 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL30108044 0.79 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL30108032 0.78 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL30107959 0.66 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL30107951 0.66 PTGS1 (0.46) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL30107973 0.66 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL30108014 0.66 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL12100174 0.66 HCAR3 (0.44) LPLLIPGKDM4EALDH1A1HPGD
SCHEMBL30108012 0.65 TSHR (0.58) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL30108013 0.64 HPGD (0.53) KDM4EALDH1A1HPGDHSD17B10TSHR

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
WO-2022203399-A1 ADENOSINE A2A RECEPTOR ANTAGONIST AND USE THEREOF 주식회사 스탠다임 2022-09-29 WO disclosed