SCHEMBL28293623

SCHEMBL28293623

Nc1cccnc1-c1ccccn1.[Ru]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
LMNA P02545 3/20 0.52
CCR1 P32246 2/20 0.52
CCR5 P51681 2/20 0.52
CCR8 P51685 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
P4HTM Q9NXG6 1/20 0.52
ULK1 O75385 1/20 0.47
CDK7 P50613 1/20 0.47
CDK5 Q00535 1/20 0.47
PRKCE Q02156 1/20 0.47
CAMK2G Q13555 1/20 0.47
DYRK1A Q13627 1/20 0.47
CDK5R1 Q15078 1/20 0.47
RPS6KA1 Q15418 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
SCHEMBL30791149 0.98 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL310349 0.98 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28293626 0.96 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27396508 0.96 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27933592 0.96 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29068847 0.96 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9293967 0.96 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28959790 0.96 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27584752 0.96 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27450610 0.96 KDM4E (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106928477-B Preparation method and application of electrochemiluminescence polymer nanoparticles 苏州大学 2019-04-26 CN claimed
CN-106928477-B Preparation method and application of electrochemiluminescence polymer nanoparticles 苏州大学 2019-04-26 CN disclosed