SCHEMBL19890657

SCHEMBL19890657

c1ccc2c(c1)[nH]c1c2ccc2c1ccc1c3cccc4c5ccccc5n(c21)c43

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.53
GABRP O00591 2/20 0.51
GABRD O14764 2/20 0.51
GABRA1 P14867 2/20 0.51
GABRB1 P18505 2/20 0.51
GABRG2 P18507 2/20 0.51
GABRB3 P28472 2/20 0.51
GABRA5 P31644 2/20 0.51
GABRA3 P34903 2/20 0.51
GABRA2 P47869 2/20 0.51
GABRB2 P47870 2/20 0.51
GABRA4 P48169 2/20 0.51
GABRE P78334 2/20 0.51
GABRA6 Q16445 2/20 0.51
GABRG1 Q8N1C3 2/20 0.51
GABRG3 Q99928 2/20 0.51
GABRQ Q9UN88 2/20 0.51
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
GPR3 P46089 1/20 0.43

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
SCHEMBL23723196 0.89 GABRP (0.47) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL20071393 0.88 GABRP (0.47) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL19890611 0.88 GABRP (0.51) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL20068405 0.85 KIF11 (0.50) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL20068629 0.84 KIF11 (0.49) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL23474696 0.84 GABRP (0.50) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL23474687 0.83 GABRP (0.49) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL22136476 0.82 KIF11 (0.50) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL22722302 0.82 ALDH1A1 (0.52) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL23723202 0.82 GABRP (0.51) KIF11GABRPGABRDGABRA1GABRB1

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-2018034443-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-02-22 WO disclosed