SCHEMBL19061406

SCHEMBL19061406

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.33
▸ TSPO P30536 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ NTSR1 P30989 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPY5R Q15761 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL8735333 0.99 PDK2 (0.32) PDK2TSPOMEN1KMT2APTGER4
SCHEMBL19061243 0.99 PDK2 (0.32) PDK2TSPOMEN1KMT2APTGER4
SCHEMBL19061269 0.97 PTGER4 (0.31) PDK2TSPOMEN1KMT2APTGER4
SCHEMBL8735667 0.97 PDK2 (0.34) PDK2MEN1KMT2ANTSR1ALDH1A1
SCHEMBL8736975 0.97 PDK2 (0.34) PDK2MEN1KMT2ANTSR1ALDH1A1
SCHEMBL8734567 0.96 PDK2 (0.33) PDK2TSPOMEN1KMT2APTGER4
SCHEMBL8735789 0.96 PDK2 (0.34) PDK2MEN1KMT2ANTSR1ALDH1A1
SCHEMBL8735461 0.96 MEN1 (0.34) PDK2MEN1KMT2ANTSR1ALDH1A1
SCHEMBL8736985 0.95 KDM4E (0.36) PDK2TSPOMEN1KMT2APTGER4
SCHEMBL8734611 0.95 MEN1 (0.36) PDK2MEN1KMT2ANTSR1ALDH1A1

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-2017111389-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DIODE INCLUDING SAME 주식회사 두산 2017-06-29 — — WO disclosed
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