SCHEMBL19986132

SCHEMBL19986132

c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7oc6c54)nc4ncccc34)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31

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
SCHEMBL19986131 0.94 DHODH (0.33) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL19986130 0.94 GABRP (0.32) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL19986149 0.88 KDM4E (0.37) KDM4EALDH1A1MAPTHPGD
SCHEMBL19986134 0.88 TOP1 (0.37)
SCHEMBL19986129 0.84 KDM4E (0.32) KDM4EALDH1A1HPGDDHODH
SCHEMBL19986203 0.82 TOP1 (0.41) KDM4EALDH1A1HPGD
SCHEMBL19986017 0.82 DHODH (0.30) DHODH
SCHEMBL19986136 0.82 EGFR (0.40) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL19986145 0.81 EGFR (0.42) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL19986133 0.81 TOP1 (0.42) KDM4EALDH1A1HPGD

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