SCHEMBL20180231

SCHEMBL20180231

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.45
LPL P06858 8/20 0.45
EGFR P00533 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
P4HB P07237 1/20 0.31
ALK Q9UM73 1/20 0.31
DGAT1 O75907 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
PTGER4 P35408 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30

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
SCHEMBL20180311 0.94 LIPG (0.47) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180170 0.90 LIPG (0.36) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180228 0.89 LIPG (0.38) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180158 0.85 EGFR (0.38) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180154 0.84 LIPG (0.41) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180132 0.82 EGFR (0.42) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180251 0.79 LIPG (0.42) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180164 0.79 LPL (0.41) LIPGLPLEGFRPDGFRBKDR
SCHEMBL15197437 0.77 LIPG (0.73) LIPGLPLPDGFRBKDRP4HB
SCHEMBL30065945 0.77 LIPG (0.73) LIPGLPLPDGFRBKDRP4HB

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