SCHEMBL29624537

SCHEMBL29624537

c1ccc(-c2ccc(-c3ccccn3)[nH]2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.62
LMNA P02545 5/20 0.62
METAP1 P53582 4/20 0.62
CCR1 P32246 2/20 0.62
CCR5 P51681 2/20 0.62
CCR8 P51685 2/20 0.62
CYP1A2 P05177 1/20 0.62
POLB P06746 1/20 0.62
BLM P54132 1/20 0.62
HIF1A Q16665 1/20 0.62
DOHH Q9BU89 1/20 0.62
P4HTM Q9NXG6 1/20 0.62
CCNB2 O95067 1/20 0.55
CDK1 P06493 1/20 0.55
CCNB1 P14635 1/20 0.55
GSK3B P49841 1/20 0.55
CDK5 Q00535 1/20 0.55
CDK5R1 Q15078 1/20 0.55
CCNB3 Q8WWL7 1/20 0.55
NPC1 O15118 6/20 0.52

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
SCHEMBL1456454 1.00 KDM4E (0.62) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL1456955 0.98 KDM4E (0.59) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL3751172 0.91 KDM4E (0.61) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL3745096 0.89 KDM4E (0.65) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL1456076 0.88 KDM4E (0.69) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL14668890 0.85 KDM4E (0.50) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL3749701 0.84 KDM4E (0.45) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL4037764 0.83 CCR1 (0.50) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL20510086 0.81 KDM4E (0.50) KDM4ELMNAMETAP1CCR1CCR5
Dipyridyl SCHEMBL3711450 0.78 KDM4E (1.00) KDM4ELMNAMETAP1CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478648-B Pyridine pyrrole ruthenium-like complex, preparation method thereof and application of pyridine pyrrole ruthenium-like complex as electrocatalytic ammoxidation catalyst 中南大学 2024-01-30 CN claimed
CN-114478648-A Pyridine-like pyrrole ruthenium complex, preparation method thereof and application of complex as electrocatalytic ammonia oxidation catalyst 中南大学 2022-05-13 CN claimed
CN-114478648-A Pyridine-like pyrrole ruthenium complex, preparation method thereof and application of complex as electrocatalytic ammonia oxidation catalyst 中南大学 2022-05-13 CN disclosed