SCHEMBL20068629

SCHEMBL20068629

c1ccc2c(c1)[nH]c1c3cc4c(cc3ccc21)c1cccc2c3ccccc3n4c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.49
MPL P40238 2/20 0.45
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 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
SCHEMBL20068405 0.96 KIF11 (0.50) KIF11MPLGABRPGABRDGABRA1
SCHEMBL20068455 0.88 KIF11 (0.37) KIF11MPLGABRPGABRDGABRA1
SCHEMBL19890657 0.84 KIF11 (0.53) KIF11MPLGABRPGABRDGABRA1
SCHEMBL17033387 0.82 KIF11 (0.51) KIF11MPLGABRPGABRDGABRA1
SCHEMBL20068441 0.82 CDK4 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24161429 0.82 KIF11 (0.49) KIF11MPLGABRPGABRDGABRA1
SCHEMBL20857913 0.81 HSD17B10 (0.43) KDM4EMEN1MAPTKMT2ACDC25B
SCHEMBL20068639 0.81 AHR (0.49) KIF11KDM4EMEN1MAPTKMT2A
SCHEMBL20068635 0.81 AHR (0.49) KIF11KDM4EMEN1MAPTKMT2A
SCHEMBL20068454 0.80 LPL (0.36) KIF11MPL

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-2018070824-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-04-19 WO disclosed