SCHEMBL17033784

SCHEMBL17033784

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5cc6c7ccccc7c7ccccc7n6c5ccc43)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 5/20 0.35
MAPK1 P28482 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
ACHE P22303 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 3/20 0.33
LMNA P02545 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 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
SCHEMBL17033812 0.97 MAPT (0.34) L3MBTL1MAPTKDM4EMAPK1NPSR1
SCHEMBL17033817 0.93 TUBB4A (0.31) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL17033824 0.90 MAPK1 (0.41) L3MBTL1MAPTKDM4EMAPK1NPSR1
SCHEMBL17033850 0.88 TUBB4A (0.32)
SCHEMBL17033800 0.88 DHODH (0.38) L3MBTL1MAPTKDM4EMAPK1NPSR1
SCHEMBL17033787 0.88 KDM4E (0.33) L3MBTL1MAPTKDM4ENPSR1MEN1
SCHEMBL17033557 0.86 MAPT (0.33) L3MBTL1MAPTKDM4EMAPK1NPSR1
SCHEMBL12175712 0.86 MEN1 (0.42) L3MBTL1MAPTKDM4EMAPK1NPSR1
SCHEMBL17033865 0.86 MEN1 (0.33) L3MBTL1MAPTKDM4ENPSR1MEN1
SCHEMBL17033483 0.86 L3MBTL1 (0.35) L3MBTL1MAPTKDM4EMAPK1NPSR1

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