SCHEMBL30804597

SCHEMBL30804597

N#Cc1ccccc1Nc1ccccc1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
TSHR P16473 3/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 1/20 0.55
GAA P10253 5/20 0.50
FLT1 P17948 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
AURKA O14965 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL395135 1.00 KDM4E (0.55) KDM4ETSHRHPGDHSD17B10GAA
SCHEMBL30804592 1.00 KDM4E (0.55) KDM4ETSHRHPGDHSD17B10GAA
SCHEMBL11668949 0.87 TSHR (0.59) KDM4ETSHRHPGDHSD17B10GAA
SCHEMBL22497632 0.87 KDM4E (0.50) KDM4ETSHRHPGDHSD17B10GAA
SCHEMBL29381642 0.87 KDM4E (0.46) KDM4ETSHRHPGDHSD17B10GAA
SCHEMBL3286845 0.87 KDM4E (0.46) KDM4ETSHRHPGDHSD17B10GAA
SCHEMBL4188631 0.86 AURKA (0.59) KDM4ETSHRHPGDHSD17B10GAA
SCHEMBL23172291 0.84 HPGD (0.49) KDM4ETSHRHPGDHSD17B10GAA
SCHEMBL16481324 0.84 FLT1 (0.51) KDM4ETSHRHPGDHSD17B10GAA
SCHEMBL16481051 0.84 CA2 (0.55) KDM4ETSHRHPGDHSD17B10GAA

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-117616032-A Rare earth complex 东曹株式会社 2024-02-27 CN disclosed