SCHEMBL19986186

SCHEMBL19986186

c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7sc6c54)n3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 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
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
DHODH Q02127 1/20 0.32
LIMK1 P53667 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
NTSR1 P30989 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL19985957 0.98 MEN1 (0.33) MAPTL3MBTL1MAPK1NPSR1HTT
SCHEMBL19985958 0.95 MEN1 (0.30) MEN1KMT2A
SCHEMBL18086375 0.94 L3MBTL1 (0.33) MAPTL3MBTL1MAPK1NPSR1HTT
SCHEMBL16206304 0.92 MEN1 (0.34) MAPTL3MBTL1MAPK1NPSR1HTT
SCHEMBL17405709 0.92 MEN1 (0.34) MAPTL3MBTL1MAPK1NPSR1HTT
SCHEMBL17405413 0.92 MEN1 (0.34) MAPTL3MBTL1MAPK1NPSR1HTT
SCHEMBL18086382 0.90 LIMK1 (0.32) MAPTL3MBTL1MAPK1NPSR1HTT
SCHEMBL18086379 0.90 KDM4E (0.32) MAPTL3MBTL1MAPK1NPSR1MEN1
SCHEMBL18086378 0.89 MEN1 (0.31) MAPTL3MBTL1MAPK1NPSR1MEN1
SCHEMBL18086343 0.89 L3MBTL1 (0.32) MAPTL3MBTL1MAPK1NPSR1HTT

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