SCHEMBL6283758

SCHEMBL6283758

COc1cc(OCOCC[Si](C)(C)C)c(CO)c(-c2ccc3c(-c4nc5ccccc5n4COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.39
ALDH1A1 P00352 8/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
TP53 P04637 5/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 5/20 0.37
HPGD P15428 4/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 2/20 0.35
CNR2 P34972 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6493716 0.91 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL5248181 0.87 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL5251150 0.85 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL6283765 0.81 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL6493718 0.80 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL5249126 0.77 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL5253124 0.76 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL5247212 0.76 MAPT (0.36) KDM4EALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL5522745 0.75 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL5518836 0.72 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2TP53MAPT

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
US-6891044-B2 Indazole compounds and pharmaceutical compositions for Inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-05-10 US disclosed