SCHEMBL30749490

SCHEMBL30749490

Brc1ccccc1-c1cccnc1-c1cccc(-c2ccccn2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
CCR1 P32246 3/20 0.56
CCR5 P51681 3/20 0.56
CCR8 P51685 3/20 0.56
LMNA P02545 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
TP53 P04637 2/20 0.56
ALOX15 P16050 2/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALPL P05186 1/20 0.56
HSP90AA1 P07900 1/20 0.56
ALPI P09923 1/20 0.56
ALPG P10696 1/20 0.56
MAPK1 P28482 1/20 0.56
BLM P54132 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
METAP1 P53582 1/20 0.44

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
SCHEMBL835463 0.86 KDM4E (0.53) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL31055836 0.82 KDM4E (0.62) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL8526559 0.82 CCR1 (0.53) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL7964558 0.82 KDM4E (0.67) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL30749492 0.81 KDM4E (0.56) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL30749496 0.81 KDM4E (0.56) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL30749519 0.81 KDM4E (0.56) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL1368863 0.81 KDM4E (0.60) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL4613671 0.78 KDM4E (0.46) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL30662279 0.78 KDM4E (0.56) KDM4ECCR1CCR5CCR8LMNA

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
CN-117447391-A Application of halogenated terpyridine compounds as phosphorescent materials 中南大学 2024-01-26 CN disclosed