SCHEMBL29488115

SCHEMBL29488115

C#Cc1ccc(-c2ccccn2)nc1.C#Cc1ccc(-c2ccccn2)nc1.C#Cc1ccc(-c2ccccn2)nc1.[Co+2]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
LMNA P02545 3/20 0.52
CCR1 P32246 3/20 0.52
CCR5 P51681 3/20 0.52
CCR8 P51685 3/20 0.52
P4HTM Q9NXG6 2/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
METAP1 P53582 1/20 0.52
BLM P54132 1/20 0.52
HIF1A Q16665 1/20 0.52
DOHH Q9BU89 1/20 0.52
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
TP53 P04637 3/20 0.50
ALOX15 P16050 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL29488113 1.00 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30693338 0.98 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4075034 0.98 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29488118 0.96 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30626044 0.84 HDAC8 (0.40) CCR1CCR5CCR8P4HTMGRM5
SCHEMBL27733 0.84 HDAC8 (0.40) CCR1CCR5CCR8P4HTMGRM5
SCHEMBL30492673 0.79 GRM5 (0.57) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2937466 0.79 GRM5 (0.57) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4906246 0.77 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4911899 0.77 GRM5 (0.49) GRM5HPGDS

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-11307165-B2 Electrochemical sensors with a chemically attached molecular redox buffer REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2022-04-19 US disclosed