SCHEMBL17033705

SCHEMBL17033705

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(nc6c7ccccc7c7ccccc7n56)c43)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 4/20 0.33
POLB P06746 3/20 0.33
MAPK1 P28482 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL17033539 0.98 MAPT (0.32) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL17033721 0.93 POLB (0.32) KDM4EALDH1A1HPGDPOLB
SCHEMBL17033535 0.91 L3MBTL1 (0.38) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL17033495 0.89 DHODH (0.35)
SCHEMBL17033447 0.88 KDM4E (0.35) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL17033473 0.86 KDM4E (0.33) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL17033479 0.86 FLT3 (0.33) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL17033720 0.86 MEN1 (0.34) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL17033692 0.85 POLB (0.32) KDM4EALDH1A1HPGDPOLB
SCHEMBL17033688 0.85 MAPT (0.39) KDM4EALDH1A1HPGDMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed