SCHEMBL19061696

SCHEMBL19061696

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cccc5c6ccccc6n(-c6cc(-c7ccccc7)cc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6)c45)cc3)cc21

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.32
▸ ACACA Q13085 1/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ MEN1 O00255 3/20 0.30
▸ KMT2A Q03164 3/20 0.30
▸ ALDH1A1 P00352 3/20 0.30
▸ MAPT P10636 3/20 0.30
▸ HPGD P15428 3/20 0.30
▸ NTSR1 P30989 1/20 0.30
▸ KDM4E B2RXH2 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL19061864 0.98 PDK2 (0.32) PDK2DUSP3MEN1KMT2AALDH1A1
SCHEMBL19061420 0.94 DUSP3 (0.30) DUSP3MEN1KMT2AALDH1A1MAPT
SCHEMBL19061691 0.93 PDE10A (0.33) PDK2ACACADUSP3MEN1KMT2A
SCHEMBL8735667 0.93 PDK2 (0.34) PDK2ACACAMEN1KMT2AALDH1A1
SCHEMBL8736975 0.93 PDK2 (0.34) PDK2ACACAMEN1KMT2AALDH1A1
SCHEMBL19061336 0.93 PDK2 (0.36) PDK2DUSP3KDM4EL3MBTL1
SCHEMBL8735789 0.92 PDK2 (0.34) PDK2ACACAMEN1KMT2AALDH1A1
SCHEMBL8735461 0.92 MEN1 (0.34) PDK2ACACAMEN1KMT2AALDH1A1
SCHEMBL19061523 0.91 PDK2 (0.32) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL19061855 0.91 MEN1 (0.32) PDK2DUSP3MEN1KMT2AALDH1A1

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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