SCHEMBL12120252

SCHEMBL12120252

Cc1ccc(C(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.45
RELA Q04206 2/20 0.42
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MEN1 O00255 2/20 0.39
APOBEC3A P31941 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
APOBEC3G Q9HC16 2/20 0.39
CA1 P00915 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
CHRNA7 P36544 1/20 0.38
APP P05067 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TUBB4A P04350 1/20 0.37

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
SCHEMBL13807903 1.00 NFE2L2 (0.45) NFE2L2RELAALOX5PTGS1PTGS2
SCHEMBL18198856 1.00 NFE2L2 (0.45) NFE2L2RELAALOX5PTGS1PTGS2
SCHEMBL17879374 1.00 NFE2L2 (0.45) NFE2L2RELAALOX5PTGS1PTGS2
SCHEMBL13308456 0.90 NFE2L2 (0.50) NFE2L2RELAALOX5PTGS1PTGS2
SCHEMBL13308475 0.89 PTGS1 (0.40) NFE2L2RELAALOX5PTGS1PTGS2
SCHEMBL16489726 0.88 NFE2L2 (0.56) NFE2L2RELAALOX5PTGS1PTGS2
SCHEMBL3629423 0.88 NFE2L2 (0.56) NFE2L2RELAALOX5PTGS1PTGS2
SCHEMBL10015739 0.88 NFE2L2 (0.56) NFE2L2RELAALOX5PTGS1PTGS2
SCHEMBL6764358 0.88 CHRNA7 (0.46) ALOX5MEN1KMT2ACA1GAA
SCHEMBL20663990 0.88 NFE2L2 (0.56) NFE2L2RELAALOX5PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021149510-A1 PYRROMETHENE BORON COMPLEX, LIGHT-EMITTING ELEMENT CONTAINING SAME, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE 東レ株式会社 2021-07-29 WO disclosed
US-8057917-B2 Phosphorescent OLED with mixed electron transport materials GLOBAL OLED TECHNOLOGY LLC (US) 2011-11-15 US disclosed
US-8057917-B2 Phosphorescent OLED with mixed electron transport materials GLOBAL OLED TECHNOLOGY LLC (US) 2011-11-15 US disclosed
US-20080258615-A1 PHOSPHORESCENT OLED WITH MIXED ELECTRON TRANSPORT MATERIALS GLOBAL OLED TECHNOLOGY LLC 2008-10-23 US disclosed
US-20080258615-A1 PHOSPHORESCENT OLED WITH MIXED ELECTRON TRANSPORT MATERIALS GLOBAL OLED TECHNOLOGY LLC 2008-10-23 US disclosed