SCHEMBL14979403

SCHEMBL14979403

c1ccc2c(c1)ccc1c3ccccc3n(-c3ncc(-c4ccc(-c5cc(-c6ccncc6)cc(-c6ccncc6)c5)cc4)cn3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CFTR P13569 1/20 0.35
CYP1B1 Q16678 1/20 0.35
MAPK10 P53779 8/20 0.34
MAPK9 P45984 7/20 0.34
MAPK8 P45983 3/20 0.34
KDM4E B2RXH2 2/20 0.33
HTR6 P50406 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PDE2A O00408 2/20 0.32
PDE5A O76074 2/20 0.32
PDE10A Q9Y233 2/20 0.32
PDE11A Q9HCR9 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32

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
SCHEMBL14979397 0.91 NPC1 (0.35) MAPK10KDM4EMAPT
SCHEMBL14979401 0.91 NPC1 (0.35) MAPK10KDM4EMAPT
SCHEMBL14979314 0.88 FGFR1 (0.35) CYP1A2MAPK10KDM4EMAPTCDK5
SCHEMBL14979357 0.87 NPC1 (0.37) MAPK10KDM4EMAPT
SCHEMBL14979358 0.86 NPC1 (0.35) CYP1A1CYP1B1MAPK10KDM4EMAPT
SCHEMBL14979434 0.86 CTDSP1 (0.37) CYP1A1CYP1A2CYP1B1MAPK10KDM4E
SCHEMBL17990550 0.85 L3MBTL1 (0.39) MAPK10KDM4EALDH1A1MAPT
SCHEMBL14979394 0.83 TNF (0.35) MAPK10KDM4EALDH1A1MAPTHPGD
SCHEMBL14979313 0.83 TNF (0.35) MAPK10KDM4EALDH1A1MAPTHPGD
SCHEMBL14979359 0.82 NPC1 (0.33) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140316136-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME ROHM & HAAS ELECT MAT (KR) 2014-10-23 US disclosed
US-20140316136-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME ROHM & HAAS ELECT MAT (KR) 2014-10-23 US disclosed
WO-2013073859-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-05-23 WO disclosed