SCHEMBL17521990

SCHEMBL17521990

c1ccc(-c2ccc(-c3ccc4ccc5cccnc5c4n3)c3ccccc23)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
CCR1 P32246 7/20 0.53
CCR8 P51685 7/20 0.53
LMNA P02545 6/20 0.53
TP53 P04637 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
CCR5 P51681 5/20 0.53
MAPT P10636 3/20 0.53
ALOX15 P16050 3/20 0.53
HTT P42858 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
HIF1A Q16665 2/20 0.53
HSP90AA1 P07900 2/20 0.53
CYP3A4 P08684 2/20 0.53
GMNN O75496 1/20 0.53
MMP2 P08253 1/20 0.53
CYP2D6 P10635 1/20 0.53
MMP9 P14780 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53

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
SCHEMBL29342328 0.93 CCR1 (0.61) KDM4ECCR1CCR8LMNATP53
SCHEMBL17522003 0.91 KDM4E (0.53) KDM4ECCR1CCR8LMNATP53
SCHEMBL17521992 0.87 CCR1 (0.53) KDM4ECCR1CCR8LMNATP53
SCHEMBL13311147 0.86 CCR1 (0.61) KDM4ECCR1CCR8LMNATP53
SCHEMBL1078553 0.86 KDM4E (0.61) KDM4ECCR1CCR8LMNATP53
SCHEMBL17491090 0.85 CCR1 (0.52) KDM4ECCR1CCR8LMNATP53
SCHEMBL17522004 0.85 CCR1 (0.52) KDM4ECCR1CCR8LMNATP53
SCHEMBL17521985 0.85 KDM4E (0.52) KDM4ECCR1CCR8LMNATP53
SCHEMBL19762924 0.85 CCR1 (0.52) KDM4ECCR1CCR8LMNATP53
SCHEMBL17521999 0.85 KDM4E (0.55) KDM4ECCR1CCR8LMNATP53

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
US-20160043327-A1 ORGANIC LIGHT EMITTING DISPLAY DEVICE LG DISPLAY CO., LTD. (KR) 2016-02-11 US disclosed
US-20160043327-A1 ORGANIC LIGHT EMITTING DISPLAY DEVICE LG DISPLAY CO., LTD. (KR) 2016-02-11 US disclosed