SCHEMBL20065644

SCHEMBL20065644

CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc4c5c6ccccc6ccc5n(-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c34)cc21

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL20065642 0.99 PDE6D (0.32) PDE6DKDM4EMEN1ALDH1A1LMNA
SCHEMBL20066184 0.92 PTGES (0.31) KDM4EMEN1ALDH1A1LMNAGLA
SCHEMBL20065667 0.92 MAPT (0.31) PDE6DMAPTHPGD
SCHEMBL20066189 0.91 PTGES (0.31) PDE6DKDM4EMEN1ALDH1A1LMNA
SCHEMBL20065956 0.91 PDE6D (0.32) PDE6DMAPT
SCHEMBL20065640 0.90 PDE6D (0.34) PDE6DKDM4EALDH1A1MAPTHPGD
SCHEMBL20065653 0.90 PDE6D (0.34) PDE6D
SCHEMBL20065556 0.89 MEN1 (0.32) MEN1KMT2A
SCHEMBL20065641 0.89
SCHEMBL20065550 0.88 MEN1 (0.32) PDE6DMEN1KMT2A

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-2018070835-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2018-04-19 WO disclosed