SCHEMBL19061691

SCHEMBL19061691

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5cccc6c7ccccc7n(-c7cccc(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)c7)c56)cc4)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.33
▸ PDK2 Q15119 3/20 0.32
▸ MEN1 O00255 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ MAPT P10636 4/20 0.32
▸ HPGD P15428 4/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ ACACA Q13085 2/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ NTSR1 P30989 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ FLT3 P36888 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
SCHEMBL19061855 0.96 MEN1 (0.32) PDE10APDK2MEN1KMT2AALDH1A1
SCHEMBL19061335 0.95 PDE10A (0.33) PDE10APDK2ALDH1A1KDM4ELMNA
SCHEMBL19061326 0.95 PDE10A (0.33) PDE10APDK2ALDH1A1KDM4ELMNA
SCHEMBL19061696 0.93 PDK2 (0.32) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL19061329 0.93 PDK2 (0.36) PDE10APDK2MEN1KMT2AALDH1A1
SCHEMBL19061322 0.92 PDE10A (0.33) PDE10APDK2DUSP3
SCHEMBL19061340 0.92 PDK2 (0.34) PDE10APDK2MEN1KMT2AALDH1A1
SCHEMBL19061864 0.91 PDK2 (0.32) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL19061313 0.91 DUSP3 (0.32) PDE10APDK2ALDH1A1KDM4ELMNA
SCHEMBL17809237 0.91 KDM4E (0.33) MEN1KMT2AALDH1A1MAPTHPGD

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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