SCHEMBL20071393

SCHEMBL20071393

c1ccc2c(c1)[nH]c1c2ccc2c1ccc1c2c2cccc3c4ccccc4n1c32

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.47
GABRD O14764 4/20 0.47
GABRA1 P14867 4/20 0.47
GABRB1 P18505 4/20 0.47
GABRG2 P18507 4/20 0.47
GABRB3 P28472 4/20 0.47
GABRA5 P31644 4/20 0.47
GABRA3 P34903 4/20 0.47
GABRA2 P47869 4/20 0.47
GABRB2 P47870 4/20 0.47
GABRA4 P48169 4/20 0.47
GABRE P78334 4/20 0.47
GABRA6 Q16445 4/20 0.47
GABRG1 Q8N1C3 4/20 0.47
GABRG3 Q99928 4/20 0.47
GABRQ Q9UN88 4/20 0.47
KIF11 P52732 5/20 0.45
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
GPR3 P46089 1/20 0.36

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
SCHEMBL23723202 0.89 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19890657 0.88 KIF11 (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20071412 0.88 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20071435 0.86 GABRA1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20857812 0.84 KDM4E (0.44) ALDH1A1HSD17B10GPR3NQO2MAPT
SCHEMBL20857975 0.83 KDM4E (0.42) ALDH1A1HSD17B10GPR3MAPTMEN1
SCHEMBL23474687 0.81 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23723196 0.81 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20068405 0.81 KIF11 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22036744 0.80 GABRP (0.46) 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-2018070836-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME AND ELECTRONIC APPARATUS THEREFOR 덕산네오룩스 주식회사 2018-04-19 WO disclosed