SCHEMBL17522005

SCHEMBL17522005

c1ccc2c(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)c6ccccc56)ccc43)cccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
CCR1 P32246 3/20 0.34
CCR8 P51685 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MMP2 P08253 1/20 0.34
CYP2D6 P10635 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL17522009 0.87 KDM4E (0.40) CYP3A4CYP2C19CCR1CCR8LMNA
SCHEMBL17521995 0.86 CCR1 (0.33) CYP3A4CCR1CCR8LMNAKDM4E
SCHEMBL17124051 0.81 TSHR (0.40) CYP3A4CYP2C19CCR1CCR8LMNA
SCHEMBL17124063 0.80 LMNA (0.33) CYP3A4HPGDCYP2C19CCR1CCR8
SCHEMBL16629614 0.79 CCR1 (0.36) CYP3A4CYP1A2GAAHPGDCYP2C19
SCHEMBL18886529 0.79 CCR1 (0.46) CYP3A4CCR1CCR8LMNAKDM4E
SCHEMBL23156506 0.79 PTGES (0.33) CYP3A4CYP1A2GAAHPGDCYP2C19
SCHEMBL23156445 0.79 PTGES (0.33) CYP3A4CYP1A2GAAHPGDCYP2C19
SCHEMBL16629604 0.78 GAA (0.39) CYP3A4CYP1A2GAAHPGDCYP2C19
SCHEMBL12611732 0.78 GLO1 (0.34) CYP3A4CYP1A2GAAHPGDCYP2C19

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