SCHEMBL17033633

SCHEMBL17033633

c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5ccc6cc7c8ccccc8c8ccccc8n7c6c54)n3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.34
MAPT P10636 4/20 0.34
MAPK1 P28482 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 1/20 0.34
DHODH Q02127 1/20 0.33
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
TGFBR1 P36897 1/20 0.33
AURKB Q96GD4 1/20 0.33
KDM4E B2RXH2 5/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 4/20 0.32
NTSR1 P30989 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ADORA2A P29274 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
SCHEMBL17033390 0.98 MAPT (0.34) L3MBTL1MAPTMAPK1NPSR1HTT
SCHEMBL17033627 0.93 AKR1C3 (0.30) AURKAPDPK1TGFBR1AURKBKDM4E
SCHEMBL17033631 0.91 MAPK1 (0.40) L3MBTL1MAPTMAPK1NPSR1HTT
SCHEMBL17033702 0.89 MEN1 (0.33) L3MBTL1MAPTKDM4EMEN1KMT2A
SCHEMBL17033655 0.89 DHODH (0.37) MAPTMAPK1NPSR1DHODHAURKA
SCHEMBL17033704 0.89
SCHEMBL16067144 0.88 L3MBTL1 (0.34) L3MBTL1MAPTMAPK1NPSR1HTT
SCHEMBL17033736 0.87 MAPT (0.34) L3MBTL1MAPTMAPK1NPSR1HTT
SCHEMBL17033640 0.86 KDM4E (0.33) L3MBTL1MAPTKDM4EMEN1KMT2A
SCHEMBL17033651 0.86 HSD17B10 (0.34) L3MBTL1MAPTMAPK1DHODHAURKA

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