SCHEMBL7919159

SCHEMBL7919159

F[B-](F)(F)F.F[B-](F)(F)F.[Ru+2].c1ccc(-c2nc3ccccc3nc2-c2ccccn2)nc1.c1ccc(-c2nc3ccccc3nc2-c2ccccn2)nc1.c1ccc(-c2nc3ccccc3nc2-c2ccccn2)nc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.59
NPC1 O15118 6/20 0.59
LMNA P02545 4/20 0.48
CCR1 P32246 3/20 0.48
CCR5 P51681 3/20 0.48
CCR8 P51685 3/20 0.48
METAP1 P53582 3/20 0.48
CYP1A2 P05177 2/20 0.48
POLB P06746 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
TP53 P04637 5/20 0.47
HTT P42858 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALOX15 P16050 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALPL P05186 1/20 0.47

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
SCHEMBL2061612 0.90 KDM4E (0.70) KDM4ENPC1LMNACCR1CCR5
Dipyridyl SCHEMBL29783031 0.81 KDM4E (0.74) KDM4ENPC1LMNACCR1CCR5
Dipyridyl SCHEMBL16950075 0.81 KDM4E (0.74) KDM4ENPC1LMNACCR1CCR5
Dipyridyl SCHEMBL29547730 0.81 KDM4E (0.74) KDM4ENPC1LMNACCR1CCR5
SCHEMBL7965339 0.79 KDM4E (0.81) KDM4ENPC1LMNACCR1CCR5
SCHEMBL323086 0.79 KDM4E (0.68) KDM4ENPC1LMNACCR1CCR5
Dipyridyl SCHEMBL3713644 0.79 KDM4E (0.78) KDM4ENPC1LMNACCR1CCR5
SCHEMBL14380278 0.78 KDM4E (0.55) KDM4ENPC1LMNACCR1CCR5
SCHEMBL7961613 0.77 KDM4E (0.59) KDM4ENPC1LMNACCR1CCR5
SCHEMBL21941944 0.77 METAP1 (0.57) KDM4ENPC1LMNACCR1CCR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6232264-B1 USEFUL IN FUEL CELL CATALYST COMPOSITIONS. VANDERBILT UNIVERSITY 2001-05-15 US disclosed
WO-1999066574-A1 POLYMETALLIC PRECURSORS AND COMPOSITIONS AND METHODS FOR MAKING SUPPORTED POLYMETALLIC NANOCOMPOSITES VANDERBILT UNIVERSITY (US) 1999-12-23 WO disclosed