SCHEMBL19786654

SCHEMBL19786654

C(=C(\c1ccc2ccccc2c1)c1ccc2c(ccc3c4c5c6ccccc6[nH]c5c5ccccc5c4n(-c4ccccc4)c23)c1)\c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
DYRK1A Q13627 2/20 0.33
CLK1 P49759 1/20 0.33
KIF11 P52732 1/20 0.33
MPL P40238 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
SCHEMBL19786526 0.82 KIF11 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21432031 0.79 GABRP (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19786739 0.77 KIF11 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21432053 0.74 KIF11 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19786540 0.74 KIF11 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21432023 0.73 HTR2B (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19786650 0.73 KIF11 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19786534 0.73 ROCK2 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19786541 0.72 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21432066 0.71 CDK4 (0.48) GABRPGABRDGABRA1GABRB1GABRG2

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-2018012781-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-01-18 WO disclosed