SCHEMBL23711902

SCHEMBL23711902

c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc(-c6ccc7ccc8cccc9ccc6c7c89)c5)cc4)cc3)cc(-c3ccccn3)n2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
LMNA P02545 4/20 0.41
CCR1 P32246 3/20 0.41
CCR5 P51681 3/20 0.41
CCR8 P51685 3/20 0.41
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSP90AA1 P07900 2/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 2/20 0.35

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
SCHEMBL23711906 1.00 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL23711897 1.00 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL23711898 0.97 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL23712255 0.97 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL23711896 0.95 KDM4E (0.40) KDM4ELMNACCR1CCR5CCR8
SCHEMBL23711903 0.94 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL23712120 0.94 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL23712110 0.94 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL23711901 0.94 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29342499 0.94 KDM4E (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021152940-A1 COMPOUND, ORGANIC THIN-FILM LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE 東レ株式会社 2021-08-05 WO disclosed