SCHEMBL13026287

SCHEMBL13026287

CC1(C)c2ccccc2-c2c1ccc1c(-c3c4ccccc4c(-c4ccc(F)cc4)c4ccccc34)cc3c(c21)-c1ccccc1C3(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.35
▸ PGR P06401 2/20 0.34
▸ PDK2 Q15119 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CDC25A P30304 1/20 0.30
▸ CDC25C P30307 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
SCHEMBL13024448 0.91 PDK2 (0.33) PGRPDK2
SCHEMBL10010621 0.90 ACHE (0.39) ACHEPGRPDK2KDM4ECYP1A2
SCHEMBL13026273 0.87 KIF11 (0.32) CYP1A2CYP3A4CYP2C19
SCHEMBL13026291 0.86 PGR (0.37) ACHEPGRPDK2KDM4E
SCHEMBL13026295 0.85 PGR (0.38) PGRPDK2
SCHEMBL13025512 0.85 — —
SCHEMBL12952517 0.84 ACHE (0.39) ACHEPGRPDK2KDM4ECYP1A2
SCHEMBL13150214 0.84 PDK2 (0.37) ACHEPGRPDK2KDM4ECYP1A2
SCHEMBL13026294 0.83 KDM4E (0.33) KDM4EL3MBTL1
SCHEMBL13025511 0.83 PDK2 (0.36) PDK2NPSR1L3MBTL1

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-2010151006-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS, LTD. (KR) 2010-12-29 — — WO disclosed
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