SCHEMBL19986123

SCHEMBL19986123

c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7oc6c54)n3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
MAPT P10636 6/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
MAPK1 P28482 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HTT P42858 1/20 0.32
ACHE P22303 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
DHODH Q02127 1/20 0.32
CSF1R P07333 1/20 0.32
PDGFRB P09619 1/20 0.32
KIT P10721 1/20 0.32
FLT3 P36888 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KDM4E B2RXH2 2/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
HPGD P15428 2/20 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
SCHEMBL19986201 0.98 ADORA2A (0.34) ADORA2AADORA1MAPTL3MBTL1MAPK1
SCHEMBL19986200 0.95 PLA2G2A (0.32) ADORA2AADORA1MAPTACHEMEN1
SCHEMBL17405656 0.92 ADORA2A (0.35) ADORA2AADORA1MAPTL3MBTL1MAPK1
SCHEMBL17405535 0.91 ADORA2A (0.36) ADORA2AADORA1MAPTL3MBTL1MAPK1
SCHEMBL17427570 0.91 ACHE (0.35) ADORA2AADORA1MAPTL3MBTL1MAPK1
SCHEMBL17405735 0.90 ADORA2A (0.35) ADORA2AADORA1MAPTL3MBTL1MAPK1
SCHEMBL17451716 0.89 ADORA2A (0.34) ADORA2AADORA1MAPTL3MBTL1MAPK1
SCHEMBL19986120 0.89 MAPT (0.38) MAPTMAPK1NPSR1HTTMEN1
SCHEMBL17406103 0.88 ALDH1A1 (0.35) ADORA2AADORA1MAPTL3MBTL1NPSR1
SCHEMBL17405256 0.88 ALDH1A1 (0.35) ADORA2AADORA1MAPTL3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed