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SCHEMBL20180228

SCHEMBL20180228

CC1(C)OB(c2cccc(-c3ccc(Nc4cccc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c5)c4)c(C=N)c3)c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 4/20 0.38
▸ LPL P06858 3/20 0.38
▸ EGFR P00533 1/20 0.36
▸ PDGFRB P09619 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ ABCG2 Q9UNQ0 9/20 0.33
▸ ABCB1 P08183 5/20 0.33
▸ ABCC1 P33527 5/20 0.33
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL20180231 0.89 LIPG (0.45) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180311 0.88 LIPG (0.47) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180170 0.82 LIPG (0.36) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180158 0.81 EGFR (0.38) LIPGLPLEGFRPDGFRBKDR
SCHEMBL23327987 0.80 LIPG (0.58) LIPGLPLPDGFRBKDRMAPT
SCHEMBL21981984 0.80 LIPG (0.58) LIPGLPLPDGFRBKDRMAPT
SCHEMBL31683826 0.80 LIPG (0.58) LIPGLPLPDGFRBKDRMAPT
SCHEMBL23327876 0.80 LIPG (0.58) LIPGLPLPDGFRBKDRMAPT
SCHEMBL21982167 0.80 LIPG (0.58) LIPGLPLPDGFRBKDRMAPT
SCHEMBL23353201 0.80 LIPG (0.58) LIPGLPLPDGFRBKDRMAPT

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