SCHEMBL5590746

SCHEMBL5590746

c1ccc(-c2nnc(-c3ccccn3)nc2-c2ccccn2)cc1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 16/20 0.66
KDM4E B2RXH2 4/20 0.66
LMNA P02545 4/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
HTT P42858 3/20 0.66
MITF O75030 1/20 0.66
TP53 P04637 1/20 0.57
HSP90AA1 P07900 1/20 0.56
SLC2A1 P11166 1/20 0.56
KMT2A Q03164 1/20 0.56
NCOA1 Q15788 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56

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
SCHEMBL149565 0.95 HIF1A (0.68) HIF1AKDM4ELMNASMN1; SMN2HTT
SCHEMBL30272734 0.95 HIF1A (0.68) HIF1AKDM4ELMNASMN1; SMN2HTT
SCHEMBL5590017 0.93 HIF1A (0.66) HIF1AKDM4ELMNASMN1; SMN2HTT
SCHEMBL5590434 0.93 SMN1; SMN2 (0.62) HIF1AKDM4ELMNASMN1; SMN2HTT
SCHEMBL5590833 0.89 TP53 (0.65) HIF1AKDM4ELMNASMN1; SMN2HTT
SCHEMBL5590717 0.88 HIF1A (0.59) HIF1AKDM4ELMNASMN1; SMN2HTT
SCHEMBL5590610 0.86 SMN1; SMN2 (0.62) HIF1AKDM4ELMNASMN1; SMN2HTT
SCHEMBL830141 0.82 HIF1A (0.54) HIF1AKDM4ELMNASMN1; SMN2HTT
SCHEMBL12743111 0.80 PHLPP2 (0.55) HIF1AKDM4ELMNASMN1; SMN2HTT
SCHEMBL2486634 0.78 SMN1; SMN2 (0.59) HIF1AKDM4ELMNASMN1; SMN2HTT

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-20070020519-A1 Anode active material, manufacturing method thereof and lithium battery using the anode active material SAMSUNG SDI CO., LTD. (KR) 2007-01-25 US disclosed