SCHEMBL20180251

SCHEMBL20180251

CC1(C)OB(c2cccc(-c3ccc(Nc4ccccc4)c(C(=N)c4ccccc4)c3)c2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.42
LPL P06858 6/20 0.42
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
AKR1C3 P42330 4/20 0.34
AKR1C2 P52895 4/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
P4HB P07237 1/20 0.34
EGFR P00533 1/20 0.33
AKR1C4 P17516 2/20 0.32
AKR1C1 Q04828 2/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1B1 P15121 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
IDO1 P14902 1/20 0.32
CTSV O60911 1/20 0.31
CTSL P07711 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
SCHEMBL20180255 0.95 LIPG (0.44) LIPGLPLPDGFRBKDRAKR1C3
SCHEMBL20615350 0.95 LIPG (0.44) LIPGLPLPDGFRBKDRAKR1C3
SCHEMBL20180263 0.84 EGFR (0.39) LIPGLPLPDGFRBKDRAKR1C3
SCHEMBL20615277 0.84 MAPT (0.37) LIPGLPLPDGFRBKDRAKR1C3
SCHEMBL20180231 0.79 LIPG (0.45) LIPGLPLPDGFRBKDRP4HB
SCHEMBL20180548 0.78 MEN1 (0.43) AKR1C3AKR1C2SIRT2SIRT1AKR1C4
SCHEMBL20615352 0.78 SIRT2 (0.36) AKR1C3AKR1C2SIRT2SIRT1AKR1C4
SCHEMBL20180154 0.77 LIPG (0.41) LIPGLPLPDGFRBKDREGFR
SCHEMBL20615296 0.77 EGFR (0.35) LIPGLPLPDGFRBKDRSIRT2
SCHEMBL20180122 0.77 EGFR (0.39) LIPGLPLPDGFRBKDRAKR1C3

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-2018093107-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2018-05-24 WO disclosed