SCHEMBL19003955

SCHEMBL19003955

CC1(C)OB(c2cccc(-c3cccc(-c4cccc(-c5ccc6c(N)c(N)c7ccccc7c6c5)c4)c3)c2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 10/20 0.48
LPL P06858 9/20 0.48
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
EGFR P00533 1/20 0.31
DGAT1 O75907 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 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
SCHEMBL5019885 0.93 LIPG (0.54) LIPGLPLPDGFRBKDRPRMT5
SCHEMBL30009275 0.92 LIPG (0.56) LIPGLPLPDGFRBKDRPRMT5
SCHEMBL1295207 0.92 LIPG (0.56) LIPGLPLPDGFRBKDRPRMT5
SCHEMBL31576191 0.92 LIPG (0.56) LIPGLPLPDGFRBKDRPRMT5
SCHEMBL19106683 0.85 LIPG (0.59) LIPGLPLPDGFRBKDRPRMT5
SCHEMBL30257531 0.85 LIPG (0.51) LIPGLPLPDGFRBKDRPRMT5
SCHEMBL18419163 0.84 LIPG (0.53) LIPGLPLPDGFRBKDRPRMT5
SCHEMBL19003945 0.84 LIPG (0.44) LIPGLPLPDGFRBKDRPRMT5
SCHEMBL19003972 0.84 LIPG (0.44) LIPGLPLPDGFRBKDRPRMT5
SCHEMBL19106690 0.83 LIPG (0.61) LIPGLPLPDGFRBKDRPRMT5

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-2017104946-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2017-06-22 WO disclosed