SCHEMBL17033539

SCHEMBL17033539

c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5ccc6c(nc7c8ccccc8c8ccccc8n67)c54)n3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.32
MAPK1 P28482 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 3/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
POLB P06746 3/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DHODH Q02127 1/20 0.32
ACACA Q13085 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL17033705 0.98 KDM4E (0.33) MAPTMAPK1NPSR1L3MBTL1HTT
SCHEMBL17033721 0.94 POLB (0.32) ALDH1A1KDM4EHPGDPOLB
SCHEMBL17033535 0.91 L3MBTL1 (0.38) MAPTMAPK1NPSR1L3MBTL1HTT
SCHEMBL17033495 0.89 DHODH (0.35) DHODH
SCHEMBL17033473 0.89 KDM4E (0.33) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL17033476 0.87 KDM4E (0.33) MAPTMAPK1NPSR1ALDH1A1KDM4E
SCHEMBL17033447 0.86 KDM4E (0.35) MAPTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL17033493 0.86 MAPT (0.38) MAPTMAPK1NPSR1HTTALDH1A1
SCHEMBL17033479 0.86 FLT3 (0.33) MAPTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL17033692 0.86 POLB (0.32) ALDH1A1KDM4EHPGDPOLB

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