SCHEMBL2734772

SCHEMBL2734772

c1ccc(-c2cc(-c3cncc4c3ccc3ccccc34)c(-c3ccccc3)c3c2-c2cccc4c(-c5ccccc5)ccc-3c24)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.44
PRKCZ Q05513 1/20 0.35
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 3/20 0.34
CYP17A1 P05093 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 3/20 0.34
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL2733767 0.82 PRKCZ (0.48) TNFPRKCZCYP11B1CYP11B2CYP17A1
SCHEMBL76836 0.78 CA12 (0.37) TNFALDH1A1HPGDMAPTMEN1
SCHEMBL1008377 0.78 CA12 (0.37) TNFALDH1A1HPGDMAPTMEN1
SCHEMBL2140937 0.76 ALDH1A1 (0.40) TNFKDM4EALDH1A1HPGDMAPT
SCHEMBL12731988 0.75 CCR1 (0.39) TNFKDM4EALDH1A1MAPTCYP3A4
SCHEMBL12202294 0.75 PRKCZ (0.44) TNFPRKCZCYP11B1CYP11B2CYP17A1
SCHEMBL12732000 0.74 CCR1 (0.39) TNFALDH1A1HPGDMAPTMEN1
SCHEMBL17014580 0.74 MAPT (0.40) TNFKDM4EALDH1A1HPGDMAPT
SCHEMBL2733775 0.74 CYP11B1 (0.51) TNFCYP11B1CYP11B2CYP17A1KDM4E
SCHEMBL2734078 0.73 HSD17B1 (0.41) DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088500-B2 OLED device with fluoranthene electron injection materials GLOBAL OLED TECHNOLOGY LLC (US) 2012-01-03 US disclosed
US-8088500-B2 OLED device with fluoranthene electron injection materials GLOBAL OLED TECHNOLOGY LLC (US) 2012-01-03 US disclosed
US-20100117520-A1 OLED DEVICE WITH FLUORANTHENE ELECTRON INJECTION MATERIALS GLOBAL OLED TECHNOLOGY LLC 2010-05-13 US disclosed
US-20100117520-A1 OLED DEVICE WITH FLUORANTHENE ELECTRON INJECTION MATERIALS GLOBAL OLED TECHNOLOGY LLC 2010-05-13 US disclosed