SCHEMBL31361409

SCHEMBL31361409

COC(=O)c1cc2cc(OC)ccc2[nH]1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.77
PDGFRA P16234 2/20 0.77
KDM4E B2RXH2 2/20 0.74
ALDH1A1 P00352 2/20 0.74
NPC1 O15118 1/20 0.74
LMNA P02545 1/20 0.74
HPGD P15428 1/20 0.74
HTT P42858 1/20 0.74
RAB9A P51151 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
XDH P47989 2/20 0.72
FLT3 P36888 6/20 0.67
MEN1 O00255 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
TSHR P16473 1/20 0.65
KMT2A Q03164 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
MAPT P10636 1/20 0.61

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
SCHEMBL1104006 1.00 PDGFRB (0.77) PDGFRBPDGFRAKDM4EALDH1A1NPC1
SCHEMBL29368200 0.87 FLT3 (0.67) PDGFRBPDGFRAKDM4EALDH1A1NPC1
SCHEMBL216170 0.87 FLT3 (0.67) PDGFRBPDGFRAKDM4EALDH1A1NPC1
SCHEMBL6866887 0.87 PDGFRB (1.00) PDGFRBPDGFRAFLT3MEN1CYP1A2
SCHEMBL2729934 0.85 PDGFRB (0.79) PDGFRBPDGFRAKDM4EALDH1A1NPC1
SCHEMBL335235 0.85 PDGFRB (0.79) PDGFRBPDGFRAKDM4EALDH1A1NPC1
SCHEMBL75327 0.85 KDM4E (1.00) PDGFRBPDGFRAKDM4EALDH1A1NPC1
SCHEMBL16756039 0.85 PDGFRB (0.68) PDGFRBPDGFRAKDM4EALDH1A1NPC1
SCHEMBL6518676 0.85 KDM4E (0.71) PDGFRBPDGFRAKDM4EALDH1A1NPC1
SCHEMBL9517979 0.84 PDGFRB (0.72) PDGFRBPDGFRAKDM4EALDH1A1NPC1

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-113999232-B MAT2A inhibitors 南京正大天晴制药有限公司 2025-01-07 CN disclosed