SCHEMBL28264205

SCHEMBL28264205

[Ru].c1ccc(-c2cc[nH]c2-c2ccccn2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.54
KDM4E B2RXH2 6/20 0.50
LMNA P02545 3/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
TGFBR1 P36897 5/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
TP53 P04637 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 2/20 0.43
HTT P42858 2/20 0.43

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
SCHEMBL404747 0.98 PRKCI (0.56) PRKCIKDM4ELMNACCR1CCR5
SCHEMBL3986970 0.82 PRKCI (0.49) PRKCIKDM4ELMNACCR1CCR5
SCHEMBL30457761 0.78 PRKCI (0.53) PRKCIKDM4ELMNACCR1CCR5
SCHEMBL11886372 0.78 PRKCI (0.53) PRKCIKDM4ELMNACCR1CCR5
SCHEMBL787084 0.77 PRKCI (0.51) PRKCIKDM4ELMNACCR1CCR5
SCHEMBL5163461 0.76 KDM4E (0.50) PRKCIKDM4ELMNACCR1CCR5
SCHEMBL15436293 0.74 KDM4E (0.48) PRKCIKDM4ELMNACCR1CCR5
SCHEMBL858806 0.73 KDM4E (0.72) PRKCIKDM4ELMNACCR1CCR5
Dipyridyl SCHEMBL5145001 0.72 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL1927728 0.72 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108997435-B Dipyridyl pyrrole-ruthenium (I) complex, preparation method thereof and application thereof as electrochemical reduction catalyst 中南大学 2020-02-04 CN disclosed
CN-108997435-B Dipyridyl pyrrole-ruthenium (I) complex, preparation method thereof and application thereof as electrochemical reduction catalyst 中南大学 2020-02-04 CN disclosed
CN-108997435-B Dipyridyl pyrrole-ruthenium (I) complex, preparation method thereof and application thereof as electrochemical reduction catalyst 中南大学 2020-02-04 CN disclosed
CN-108997435-A A kind of bipyridyl pyrroles-ruthenium (I) complex and preparation method thereof and application as electrochemical reduction catalyst 中南大学 2018-12-14 CN disclosed
CN-108997435-A A kind of bipyridyl pyrroles-ruthenium (I) complex and preparation method thereof and application as electrochemical reduction catalyst 中南大学 2018-12-14 CN disclosed
CN-108997435-A A kind of bipyridyl pyrroles-ruthenium (I) complex and preparation method thereof and application as electrochemical reduction catalyst 中南大学 2018-12-14 CN disclosed