SCHEMBL12853992

SCHEMBL12853992

c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc3ccc4cccnc4c3n2)c(-c2ccc3ccc4cccnc4c3n2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.64
KDM4E B2RXH2 4/20 0.64
CCR1 P32246 3/20 0.64
CCR5 P51681 3/20 0.64
CCR8 P51685 3/20 0.64
TSHR P16473 3/20 0.64
MAPT P10636 3/20 0.64
HTT P42858 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
TDP1 Q9NUW8 3/20 0.64
MMP2 P08253 2/20 0.64
ALOX15 P16050 2/20 0.64
GMNN O75496 1/20 0.64
TP53 P04637 1/20 0.64
HSP90AA1 P07900 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
MMP9 P14780 1/20 0.64
NFKB1 P19838 1/20 0.64
MMP8 P22894 1/20 0.64

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
SCHEMBL14900783 1.00 LMNA (0.64) LMNAKDM4ECCR1CCR5CCR8
SCHEMBL27731316 0.89 LMNA (0.55) LMNAKDM4ECCR1CCR5CCR8
SCHEMBL15497974 0.88 CCR1 (0.64) LMNAKDM4ECCR1CCR5CCR8
SCHEMBL20154964 0.88 CCR1 (0.64) LMNAKDM4ECCR1CCR5CCR8
SCHEMBL22101154 0.87 CCR1 (0.76) LMNAKDM4ECCR1CCR5CCR8
SCHEMBL29413987 0.87 CCR1 (0.76) LMNAKDM4ECCR1CCR5CCR8
SCHEMBL17899316 0.87 CCR1 (0.76) LMNAKDM4ECCR1CCR5CCR8
SCHEMBL13311147 0.86 CCR1 (0.61) LMNAKDM4ECCR1CCR5CCR8
SCHEMBL29342328 0.86 CCR1 (0.61) LMNAKDM4ECCR1CCR5CCR8
SCHEMBL17899339 0.86 CCR1 (0.67) LMNAKDM4ECCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120298979-A1 ORGANIC ELECTROLUMINESCENT DEVICE UDC IRELAND LIMITED (IE) 2012-11-29 US disclosed
US-20120298979-A1 ORGANIC ELECTROLUMINESCENT DEVICE UDC IRELAND LIMITED (IE) 2012-11-29 US disclosed
US-8277954-B2 Light emitting compound; high luminescence efficiency; durability FUJIFILM CORPORATION (JP) 2012-10-02 US disclosed
US-8277954-B2 Light emitting compound; high luminescence efficiency; durability FUJIFILM CORPORATION (JP) 2012-10-02 US disclosed
US-20070196692-A1 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2007-08-23 US disclosed
US-20070196692-A1 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2007-08-23 US disclosed